Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839400052
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.019014919486451537
Energy: 1.275643243418672
Energy: 0.019014919486451537
Energy: 1.275643243418939
Energy: 0.019014919486451537
Energy: 1.275643243418939
Energy: 1.275643243418672
Energy: 0.019991054551504305
Energy: 1.275643243418939
Energy: 0.019991054550465723
Energy: 1.275643243418939
Energy: 0.019991054550465723
Energy: 0.019014919486451537
Energy: 1.275643243418939
Energy: 0.019014919486451537
Energy: 1.275643243418939
Energy: 0.019014919486451537
Energy: 1.275643243418939
Energy: 1.275643243418939
Energy: 0.01999105455073279
Energy: 1.275643243418672
Energy: 0.01999105455073279
Energy: 1.275643243418672
Energy: 0.01999105455073279
Energy: 0.019014919486451537
Energy: 1.275643243418672
Energy: 0.019014919486451537
Energy: 1.275643243418939
Energy: 0.019014919486451537
Energy: 1.275643243418939
Energy: 1.275643243418939
Energy: 0.01999105455177137
Energy: 1.275643243418939
Energy: 0.019991054550465723
Energy: 1.275643243418672
Energy: 0.019991054550465723

minimum gb energy = 0.019014919486451537 eV
minimum distance =  2.76666177381808 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.2687393893797876
Energy: 1.878083812629984
Energy: 2.2687393893797876
Energy: 1.8780838126293409
Energy: 2.2687393893797876
Energy: 1.878083812629984
Energy: 2.138838181484213
Energy: 1.6076521628565332
Energy: 2.138838181484213
Energy: 1.6076521628565332
Energy: 2.138838181484213
Energy: 1.6076521628565332
Energy: 1.8890752506908934
Energy: 2.067199091745109
Energy: 1.8890752506908934
Energy: 2.0671990917444663
Energy: 1.8890752506915363
Energy: 2.0671990917444663
Energy: 2.1878386030072745
Energy: 1.7513560276686237
Energy: 2.1878386030072745
Energy: 1.7513560276692666
Energy: 2.1878386030072745
Energy: 1.7513560276686237
Energy: 1.8611787738248262
Energy: 1.9606052226632869
Energy: 1.8611787738248262
Energy: 1.9606052226620012
Energy: 1.861178773825469
Energy: 1.9606052226632869
Energy: 2.074861185530993
Energy: 1.9512754892470776
Energy: 2.074861185530993
Energy: 1.9512754892477209
Energy: 2.074861185530993
Energy: 1.9512754892470776
Energy: 1.8759643729980104
Energy: 1.993329685237777
Energy: 1.8759643729890105
Energy: 1.993329685237777
Energy: 1.8759643729973676
Energy: 1.993329685237777
Energy: 1.8122470903645693
Energy: 2.164518941969363
Energy: 1.8122470903652121
Energy: 2.164518941969363
Energy: 1.8122470903645693
Energy: 2.164518941969363
Energy: 1.995699130826237
Energy: 2.0261126033225363
Energy: 1.995699130826237
Energy: 2.0261126033225363
Energy: 1.995699130826237
Energy: 2.0261126033225363
Energy: 1.6874167938596816
Energy: 2.0476754579016876
Energy: 1.6874167938596816
Energy: 2.0476754579016876
Energy: 1.6874167938596816
Energy: 2.0476754579023306
Energy: 2.0404523179938425
Energy: 1.6203184499129533
Energy: 2.0404523179938425
Energy: 1.6203184499129533
Energy: 2.0404523179938425
Energy: 1.6203184499129533
Energy: 1.6486582149066562
Energy: 1.937822970727132
Energy: 1.6486582149066562
Energy: 1.9378229707297034
Energy: 1.648658214907299
Energy: 1.9378229707297034
Energy: 2.082401012401149
Energy: 1.5238414312351818
Energy: 2.082401012400506
Energy: 1.5238414312351818
Energy: 2.082401012400506
Energy: 1.5238414312358246
Energy: 1.859265464831166
Energy: 2.0068127068398405
Energy: 1.8592654648318088
Energy: 2.0068127068398405
Energy: 1.8592654648318088
Energy: 2.0068127068398405
Energy: 2.1515664274627024
Energy: 1.6772301592223358
Energy: 2.1515664274620594
Energy: 1.6772301592216932
Energy: 2.1515664274627024
Energy: 1.6772301592216932
Energy: 2.208669343713751
Energy: 2.005817901790796
Energy: 2.208669343713751
Energy: 2.005817901790796
Energy: 2.208669343713751
Energy: 2.0058179017901536
Energy: 1.9316644122635944
Energy: 1.971199106172302
Energy: 1.9316644122635944
Energy: 1.9711991061729448
Energy: 1.9316644122635944
Energy: 1.971199106172302
Energy: 1.909610163736048
Energy: 1.8054315737353686
Energy: 1.9096101637354053
Energy: 1.8054315737360112
Energy: 1.9096101637354053
Energy: 1.8054315737353686
Energy: 1.7508826906767538
Energy: 2.0412559844627736
Energy: 1.7508826906767538
Energy: 2.041255984462131
Energy: 1.750882690676111
Energy: 2.0412559844627736
Energy: 1.9866104210350632
Energy: 1.7815086415620975
Energy: 1.9866104210344204
Energy: 1.781508641560169
Energy: 1.9866104210344204
Energy: 1.781508641560812
Energy: 1.7347112588974352
Energy: 2.163029605455705
Energy: 1.7347112588974352
Energy: 2.163029605455705
Energy: 1.7347112588974352
Energy: 2.163029605455705
Energy: 1.985792345297527
Energy: 1.907734579667788
Energy: 1.985792345297527
Energy: 1.907734579667788
Energy: 1.985792345297527
Energy: 1.907734579667788
Energy: 1.4706417511592897
Energy: 2.103660543885249
Energy: 1.4706417511599326
Energy: 2.1036605438846063
Energy: 1.4706417511592897
Energy: 2.1036605438846063

minimum gb energy = 1.4706417511592897 eV
minimum distance =  2.57748384844385 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8500914699895123
Energy: 1.9367585473742686
Energy: 1.8118251911848442
Energy: 1.9367585473742686
Energy: 1.850091469989911
Energy: 1.9367585473735371
Energy: 2.254662860931601
Energy: 1.8787954383909453
Energy: 2.2546628609323323
Energy: 1.8787954383909453
Energy: 2.254662860931601
Energy: 1.878795438392408
Energy: 1.6248847247263678
Energy: 1.8871027703905598
Energy: 1.6248847247263678
Energy: 1.8871027703901613
Energy: 1.6248847247263678
Energy: 1.8871027703912915
Energy: 2.1022200205838546
Energy: 1.9417498827690438
Energy: 2.102220020583123
Energy: 1.9417498827690438
Energy: 2.102220020584253
Energy: 1.9417498827683124
Energy: 1.8740300789499893
Energy: 1.9298747771889202
Energy: 1.8740300789485265
Energy: 1.9298747771885878
Energy: 1.8740300789499893
Energy: 1.9298747771885878
Energy: 2.1384344982115726
Energy: 1.716279727745866
Energy: 2.1384344982115726
Energy: 1.716279727745866
Energy: 2.13843449821124
Energy: 1.716279727744802
Energy: 2.1810917166527837
Energy: 2.0388332595119785
Energy: 2.1810917166527837
Energy: 2.0388332595123106
Energy: 2.1810917166527837
Energy: 2.038833259510117
Energy: 1.5356098023205478
Energy: 1.9891345114898482
Energy: 1.535609802321279
Energy: 1.9891345114898482
Energy: 1.53560980232088
Energy: 1.9891345114894494
Energy: 2.065181156092215
Energy: 1.7988258111181814
Energy: 2.065181156092215
Energy: 1.7988258111181814
Energy: 2.065181156091883
Energy: 1.7988258111171176
Energy: 1.5856209742375895
Energy: 2.1591528641840956
Energy: 1.5855782440717139
Energy: 2.1591528641840956
Energy: 1.5856209742375895
Energy: 2.1591528641808377
Energy: 2.105822107659314
Energy: 1.5877261279171273
Energy: 2.1058221076589816
Energy: 1.5877261279171273
Energy: 2.1058221076589816
Energy: 1.5877261279171273
Energy: 1.7702888456427321
Energy: 2.041342289239334
Energy: 1.7701966149801471
Energy: 2.0413422892397337
Energy: 1.7702888456431312
Energy: 2.0413422892397337
Energy: 2.098323567742991
Energy: 1.5969394579713954
Energy: 2.098323567743323
Energy: 1.596939457971728
Energy: 2.098323567742592
Energy: 1.596939457972127
Energy: 1.9930896692484832
Energy: 2.0909021818514466
Energy: 1.993089669248882
Energy: 2.0909021818514466
Energy: 1.993089669248882
Energy: 2.0909021818492524
Energy: 2.0332778066691684
Energy: 1.8952712970085812
Energy: 2.0332778066695005
Energy: 1.8952712970085812
Energy: 2.0332778066695005
Energy: 1.8952712970082488
Energy: 1.714686968348721
Energy: 1.7766019605651167
Energy: 1.7146869683479895
Energy: 1.7766019605651167
Energy: 1.714686968348721
Energy: 1.7766019605647179
Energy: 1.9385521064941218
Energy: 1.8820255203071754
Energy: 1.9385521064941218
Energy: 1.8820255203071754
Energy: 1.9385521064948528
Energy: 1.8820255203049814
Energy: 1.9469843419366561
Energy: 1.587669206511508
Energy: 1.9469843419351935
Energy: 1.587669206511109
Energy: 1.9469843419366561
Energy: 1.5876692065096463
Energy: 1.9139372574950544
Energy: 1.968855247649203
Energy: 1.9139372574932592
Energy: 1.968855247649203
Energy: 1.913937257495453
Energy: 1.9688552476473415
Energy: 2.0503790025858692
Energy: 1.8172450870215586
Energy: 2.05037900258547
Energy: 1.8172450870215586
Energy: 2.0503790025858692
Energy: 1.8172450870215586
Energy: 1.5484673612724735
Energy: 2.1632359562911487
Energy: 1.5484673612739361
Energy: 2.163235956290749
Energy: 1.5484673612735371
Energy: 2.163235956290417
Energy: 1.8867883948141373
Energy: 1.8000185332103424
Energy: 1.88678839481673
Energy: 1.8000185332103424
Energy: 1.8867883948130735
Energy: 1.8000185332088796
Energy: 1.5040809176353251
Energy: 2.2372822498307054
Energy: 1.5018767083733164
Energy: 2.237282249830306
Energy: 1.5040809176349927
Energy: 2.2372822498292426
Energy: 2.027493912734352
Energy: 1.9705791133697892
Energy: 2.027493912731826
Energy: 1.9705791133697892
Energy: 2.0274939127332883
Energy: 1.9705791133694566
Energy: 1.9062057766933023
Energy: 2.1364975376750146
Energy: 1.8597737902891713
Energy: 2.136497537674682
Energy: 1.9062057766933023
Energy: 2.1364975376750146
Energy: 2.06302228481892
Energy: 2.0066377793809296
Energy: 2.002713666983769
Energy: 2.0066377793809296
Energy: 2.0630222848185875
Energy: 2.0066377793805303
Energy: 2.0708103325011735
Energy: 2.0016474764948677
Energy: 2.003123664048374
Energy: 2.0016474764952665
Energy: 2.0708103325011735
Energy: 2.0016474764938037
Energy: 1.8846429365281943
Energy: 2.0627997905042306
Energy: 1.8846429365293245
Energy: 2.0627997905049615
Energy: 1.8846429365278616
Energy: 2.0627997905038318
Energy: 1.9640568328765946
Energy: 1.9375239538613869
Energy: 1.9640568328758634
Energy: 1.9375239538613869
Energy: 1.9640568328758634
Energy: 1.9375239538617193
Energy: 1.5268243888471271
Energy: 2.1918695506499564
Energy: 1.526824388847858
Energy: 2.191869550650289
Energy: 1.5268243888475257
Energy: 2.1918695506532138
Energy: 1.9458401867740973
Energy: 1.7991315011009343
Energy: 1.9458401867744965
Energy: 1.7991315011005353
Energy: 1.9458401867744965
Energy: 1.7991315011009343
Energy: 1.5903691604571244
Energy: 2.0982176828269323
Energy: 1.5903691604575234
Energy: 2.0982176828265335
Energy: 1.5903691604575234
Energy: 2.09821768282547
Energy: 2.050009722070733
Energy: 1.8177699737239044
Energy: 2.050009722071066
Energy: 1.8177699737235717
Energy: 2.050009722070733
Energy: 1.8177699737239044
Energy: 1.869545164251251
Energy: 2.0537074828904274
Energy: 1.8695451642519825
Energy: 2.0537074828904274
Energy: 1.8695451642508523
Energy: 2.053707482887901
Energy: 1.886184663329812
Energy: 1.6133882818696799
Energy: 1.8861846633294796
Energy: 1.6133882818700125
Energy: 1.886184663329812
Energy: 1.6133882818689487
Energy: 1.9424904294944314
Energy: 1.909589356989364
Energy: 1.9424904294951624
Energy: 1.9095893569889648
Energy: 1.9424904294940322
Energy: 1.909589356989364
Energy: 1.6517410404778086
Energy: 1.834192000078295
Energy: 1.651753023475372
Energy: 1.834192000078295
Energy: 1.6517410404778086
Energy: 1.8341920000786935
Energy: 1.9685586206423609
Energy: 1.9684626923006836
Energy: 1.9685586206434247
Energy: 1.968462692301016
Energy: 1.9685586206419623
Energy: 1.9684626923024788
Energy: 2.0375137726097012
Energy: 2.0891983831435588
Energy: 2.0375137726101
Energy: 2.0891983831432266
Energy: 2.0375137726097012
Energy: 2.0891983831435588
Energy: 2.164300481358038
Energy: 1.5534736718402404
Energy: 2.164300481356177
Energy: 1.5534736718402404
Energy: 2.164300481358371
Energy: 1.5534736718398419
Energy: 1.8260509436443044
Energy: 1.9591593263138565
Energy: 1.8260509436450358
Energy: 1.9591593263138565
Energy: 1.8260509436439056
Energy: 1.9591593263141889

minimum gb energy = 1.5018767083733164 eV
minimum distance =  2.60137938055083 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.9309404274241864
Energy: 1.928655452230474
Energy: 1.9309404274241864
Energy: 1.928655452230474
Energy: 1.9309404274241864
Energy: 1.9286554522313213
Energy: 2.218415413898664
Energy: 1.7210678858792354
Energy: 2.218415413898664
Energy: 1.7210678858792354
Energy: 2.218415413898664
Energy: 1.7210678858792354
Energy: 1.7266469525309003
Energy: 2.2302516257858174
Energy: 1.7266469525317476
Energy: 2.2302516257858174
Energy: 1.7266469525317476
Energy: 2.2302516257866642
Energy: 1.8910305157273735
Energy: 1.6856731824977598
Energy: 1.8910305157273735
Energy: 1.6856731824977598
Energy: 1.8910305157273735
Energy: 1.685673182496913
Energy: 1.9399641028439558
Energy: 1.8907159547087578
Energy: 1.939964102843109
Energy: 1.8907159547087578
Energy: 1.939964102843109
Energy: 1.8907159547087578
Energy: 2.019888577339166
Energy: 1.8933504945978326
Energy: 2.019888577339166
Energy: 1.8933504945978326
Energy: 2.019888577339166
Energy: 1.8933504945978326
Energy: 1.9644629128705675
Energy: 1.8059267932939813
Energy: 1.9644629128705675
Energy: 1.805926793293134
Energy: 1.9644629128705675
Energy: 1.805926793293134
Energy: 1.7259559075427926
Energy: 1.931129165257215
Energy: 1.7259559075419453
Energy: 1.931129165258062
Energy: 1.7259559075419453
Energy: 1.931129165258062
Energy: 2.0507978918219694
Energy: 1.587843876047537
Energy: 2.050797891821122
Energy: 1.587843876047537
Energy: 2.0507978918219694
Energy: 1.587843876047537
Energy: 1.7959477842959815
Energy: 2.163234686582076
Energy: 1.7959477842959815
Energy: 2.163234686581267
Energy: 1.7959477842959815
Energy: 2.163234686581267
Energy: 2.2074725663016808
Energy: 1.5588737015142806
Energy: 2.207472566302528
Energy: 1.5588737015142806
Energy: 2.207472566302528
Energy: 1.5588737015151275
Energy: 1.9361391845171556
Energy: 2.034335768689224
Energy: 1.9361391845171556
Energy: 2.034335768689224
Energy: 1.9361391845171556
Energy: 2.034335768689224
Energy: 2.094678404818179
Energy: 1.7199491264263302
Energy: 2.094678404818179
Energy: 1.7199491264263302
Energy: 2.0946784048190263
Energy: 1.7199491264263302
Energy: 1.8303438536695502
Energy: 1.7467083942766144
Energy: 1.8303438536695502
Energy: 1.746708394275767
Energy: 1.8303438536695502
Energy: 1.7467083942749202
Energy: 1.957275902265968
Energy: 1.8520787761862123
Energy: 1.9572759022651212
Energy: 1.8520787761862123
Energy: 1.9572759022651212
Energy: 1.8520787761862123
Energy: 1.9408744848198833
Energy: 1.8916373578292263
Energy: 1.9408744848198833
Energy: 1.8916373578300734
Energy: 1.9408744848198833
Energy: 1.8916373578300734
Energy: 1.9791233005794822
Energy: 2.124735492722196
Energy: 1.9791233005794822
Energy: 2.1247354927205016
Energy: 1.9791233005794822
Energy: 2.124735492721349
Energy: 1.8871146677368098
Energy: 1.7417467242589144
Energy: 1.8871146677368098
Energy: 1.7417467242589144
Energy: 1.8871146677359625
Energy: 1.7417467242597613

minimum gb energy = 1.5588737015142806 eV
minimum distance =  2.51436416812193 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.7603686169312902
Energy: 1.5763018656225196
Energy: 1.688460939777039
Energy: 1.576301865623525
Energy: 1.7603686169312902
Energy: 1.576301865623525
Energy: 2.1253355086939263
Energy: 2.0785472913411236
Energy: 2.125335508692921
Energy: 2.0785472913401186
Energy: 2.1253355086934236
Energy: 2.0785472913401186
Energy: 1.5370709176618957
Energy: 2.0353869596764396
Energy: 1.5370709176618957
Energy: 2.0353869596754346
Energy: 1.5370709176618957
Energy: 2.0353869596754346
Energy: 2.1128291903498906
Energy: 1.4693286332144495
Energy: 2.1128291903498906
Energy: 1.469328633214952
Energy: 2.1128291903498906
Energy: 1.469328633214952
Energy: 1.6000093939092197
Energy: 1.5900031180648995
Energy: 1.6000093939087168
Energy: 1.5900031180648995
Energy: 1.6000093939082145
Energy: 1.5900031180648995
Energy: 1.5344562469379013
Energy: 1.6264540545343458
Energy: 1.5344562469379013
Energy: 1.6264540545343458
Energy: 1.5344562469363938
Energy: 1.6264540545338433
Energy: 2.0085576026481955
Energy: 1.4623511049774516
Energy: 2.008557602647693
Energy: 1.4623511049789588
Energy: 2.008557602647693
Energy: 1.4623511049789588
Energy: 1.515882653886925
Energy: 2.0025193193561113
Energy: 1.5155138445973657
Energy: 2.0025193193571162
Energy: 1.5158826538879302
Energy: 2.0025193193561113
Energy: 2.146734966033821
Energy: 1.9534341778611946
Energy: 2.1467349660343236
Energy: 1.9534341778611946
Energy: 2.146734966035329
Energy: 1.9534341778611946
Energy: 1.688460939777039
Energy: 1.5763018656225196
Energy: 1.688460939777039
Energy: 1.576301865623525
Energy: 1.688460939777039
Energy: 1.576301865623525
Energy: 2.1253355086934236
Energy: 2.0785472913401186
Energy: 2.125335508692418
Energy: 2.0785472913401186
Energy: 2.125335508692921
Energy: 2.0785472913401186
Energy: 1.5370709176608908
Energy: 2.035386959675937
Energy: 1.5370709176613933
Energy: 2.035386959675937
Energy: 1.5370709176618957
Energy: 2.0353869596754346
Energy: 2.1128291903503933
Energy: 1.4694548645718413
Energy: 2.1128291903498906
Energy: 1.4694548645728462
Energy: 2.1128291903503933
Energy: 1.4694548645728462
Energy: 1.6000093939097222
Energy: 1.5900031180648995
Energy: 1.6000093939087168
Energy: 1.590003118065402
Energy: 1.6000093939082145
Energy: 1.590003118065402
Energy: 1.5344562469373988
Energy: 1.6264540545348483
Energy: 1.5344562469373988
Energy: 1.6264540545338433
Energy: 1.5344562469368963
Energy: 1.6264540545343458
Energy: 2.008557602647693
Energy: 1.462351104976949
Energy: 2.008557602647693
Energy: 1.4623511049789588
Energy: 2.008557602647693
Energy: 1.4623511049789588
Energy: 1.5621371194568805
Energy: 2.002519319355609
Energy: 1.528444640291787
Energy: 2.002519319356614
Energy: 1.5621371194578857
Energy: 2.002519319355609
Energy: 2.0703721138767617
Energy: 1.953434177860692
Energy: 2.146734966033821
Energy: 1.953434177860692
Energy: 2.070372113877767
Energy: 1.953434177860692
Energy: 1.7603686169312902
Energy: 1.5763018656230225
Energy: 1.6884609397775416
Energy: 1.576301865623525
Energy: 1.7603686169317927
Energy: 1.576301865623525
Energy: 2.1253355086934236
Energy: 2.0785472913401186
Energy: 2.125335508692418
Energy: 2.0785472913396155
Energy: 2.125335508692921
Energy: 2.078547291339113
Energy: 1.5370709176613933
Energy: 2.0353869596764396
Energy: 1.5370709176618957
Energy: 2.0353869596754346
Energy: 1.5370709176613933
Energy: 2.035386959675937
Energy: 2.1128291903503933
Energy: 1.469328633213444
Energy: 2.1128291903503933
Energy: 1.469328633214952
Energy: 2.1128291903503933
Energy: 1.469328633214952
Energy: 1.6000093939092197
Energy: 1.590003118065402
Energy: 1.6000093939082145
Energy: 1.590003118065402
Energy: 1.6000093939072095
Energy: 1.590003118065402
Energy: 1.5344562469379013
Energy: 1.6264540545348483
Energy: 1.5344562469373988
Energy: 1.6264540545348483
Energy: 1.5344562469373988
Energy: 1.6264540545348483
Energy: 2.0085576026486978
Energy: 1.4623511049774516
Energy: 2.0085576026481955
Energy: 1.4623511049794617
Energy: 2.0085576026481955
Energy: 1.4623511049789588
Energy: 1.5158826538864225
Energy: 2.002519319355609
Energy: 1.5155138445963603
Energy: 2.002519319355609
Energy: 1.515882653886925
Energy: 2.002519319356614
Energy: 2.1467349660343236
Energy: 1.953434177860692
Energy: 2.1467349660348263
Energy: 1.953434177860692
Energy: 2.1467349660348263
Energy: 1.953434177860692
Energy: 1.688460939777039
Energy: 1.5763018656220171
Energy: 1.6884609397775416
Energy: 1.5763018656230225
Energy: 1.688460939777039
Energy: 1.5763018656230225
Energy: 2.125335508692418
Energy: 2.078547291340621
Energy: 2.125335508691916
Energy: 2.0785472913401186
Energy: 2.125335508692418
Energy: 2.0785472913401186
Energy: 1.5370709176603878
Energy: 2.035386959676942
Energy: 1.5370709176613933
Energy: 2.0353869596754346
Energy: 1.5370709176613933
Energy: 2.0353869596754346

minimum gb energy = 1.462351104976949 eV
minimum distance =  2.51765563544616 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4842030309249261
Energy: 1.4589696960697023
Energy: 1.4842030309249261
Energy: 1.4589696960697023
Energy: 1.4842030309236953
Energy: 1.4589696960697023
Energy: 1.9447343206671568
Energy: 1.6475745039909016
Energy: 1.9447343206671568
Energy: 1.6475745039921323
Energy: 1.9447343206659258
Energy: 1.6475745039921323
Energy: 1.5983251002864678
Energy: 1.8650915835673945
Energy: 1.5983251002864678
Energy: 1.8650915835686257
Energy: 1.5983251002864678
Energy: 1.8650915835723185
Energy: 2.118699481444998
Energy: 1.4491061719634826
Energy: 2.118699481444998
Energy: 1.4491061719647136
Energy: 2.1186994814462285
Energy: 1.4491061719634826
Energy: 1.9699012313366988
Energy: 1.4491182408781142
Energy: 1.9699012313354678
Energy: 1.4491182408781142
Energy: 1.9699012313342372
Energy: 1.4491182408781142
Energy: 1.6257725728257226
Energy: 1.915586739866026
Energy: 1.6257725728257226
Energy: 1.915586739866026
Energy: 1.6257725728257226
Energy: 1.915586739866026
Energy: 1.3947022306452046
Energy: 1.6459138865847447
Energy: 1.3947022306464356
Energy: 1.6459138865859757
Energy: 1.3947022306464356
Energy: 1.6459138865859757
Energy: 1.4829968166574496
Energy: 1.4606640409050506
Energy: 1.4829968166562189
Energy: 1.4606640409050506
Energy: 1.4829968166574496
Energy: 1.4606640409050506
Energy: 1.9462180036488927
Energy: 1.5984514179859526
Energy: 1.9462180036488927
Energy: 1.5984514179859526
Energy: 1.9462180036488927
Energy: 1.5984514179859526
Energy: 1.8027604832996247
Energy: 1.7848873950491517
Energy: 1.802760483300856
Energy: 1.7848873950491517
Energy: 1.8027604832996247
Energy: 1.7848873950503825
Energy: 1.5003460244608338
Energy: 1.448144572423606
Energy: 1.5003460244608338
Energy: 1.448144572423606
Energy: 1.5003460244608338
Energy: 1.448144572423606
Energy: 1.8692923707384295
Energy: 2.037559526850219
Energy: 1.8692923707384295
Energy: 2.037559526850219
Energy: 1.8692923707384295
Energy: 2.037559526850219

minimum gb energy = 1.3947022306452046 eV
minimum distance =  2.61095289058106 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.3104356719811627
Energy: 1.5649876154619236
Energy: 1.3104356719846217
Energy: 1.5649876154619236
Energy: 1.3104356719846217
Energy: 1.5649876154619236
Energy: 1.8544049737719384
Energy: 1.5839027502749181
Energy: 1.854404973775397
Energy: 1.5839027502749181
Energy: 1.854404973775397
Energy: 1.5839027502749181
Energy: 1.2919669756542669
Energy: 2.2691148135800225
Energy: 1.2919669756542669
Energy: 2.2691148135938572
Energy: 1.2919669756542669
Energy: 2.2691148135834807
Energy: 1.257430903106249
Energy: 1.2271291576532652
Energy: 1.257430903106249
Energy: 1.2271291576532652
Energy: 1.257430903106249
Energy: 1.2271291576532652
Energy: 1.5613774544281298
Energy: 1.4427709527967956
Energy: 1.5613774544281298
Energy: 1.4427709527967956
Energy: 1.5613774544281298
Energy: 1.4427709527967956
Energy: 1.657168642713425
Energy: 1.4359917811254332
Energy: 1.657168642713425
Energy: 1.435991779286204
Energy: 1.657168642713425
Energy: 1.5148301688492896
Energy: 1.2610246468156507
Energy: 1.5826041436609761
Energy: 1.2610246468156507
Energy: 1.5826041436609761
Energy: 1.2610246468156507
Energy: 1.5826041436609761
Energy: 1.209726332536342
Energy: 1.5789787376872821
Energy: 1.209726332536342
Energy: 1.5789787376872821
Energy: 1.209726332536342
Energy: 1.5789787376872821
Energy: 1.9970867790091815
Energy: 1.4415644270927466
Energy: 1.9970867790368514
Energy: 1.4415644270927466
Energy: 1.9970867790541451
Energy: 1.4415644270927466
Energy: 1.545020628162246
Energy: 2.0889782050326287
Energy: 1.545020628162246
Energy: 2.0889782050326287
Energy: 1.545020628162246
Energy: 2.0889782050326287
Energy: 1.2584760257406369
Energy: 1.2332447386440284
Energy: 1.2584760257406369
Energy: 1.2332447386440284
Energy: 1.2584760257406369
Energy: 1.2332447386440284
Energy: 1.376218500094593
Energy: 1.3600519409439167
Energy: 1.376218500094593
Energy: 1.3600519409439167
Energy: 1.376218500094593
Energy: 1.3600519409439167
Energy: 1.2947103380716485
Energy: 1.3530831615592078
Energy: 1.2947103380681897
Energy: 1.3530831615592078
Energy: 1.2947103381096319
Energy: 1.3530831615592078
Energy: 1.3088840002307165
Energy: 1.5672587146991155
Energy: 1.3088840002307165
Energy: 1.5672587146991155
Energy: 1.3088840002272577
Energy: 1.5672587146991155
Energy: 1.2411756931954454
Energy: 1.6128946380511195
Energy: 1.2411756931954454
Energy: 1.6128946380511195
Energy: 1.2411756931954454
Energy: 1.6128946380511195
Energy: 2.0541158431138236
Energy: 1.2717070319495534
Energy: 2.054115843110365
Energy: 1.2717070319460946
Energy: 2.0541158431138236
Energy: 1.2717070319460946
Energy: 1.705260009652146
Energy: 1.843796157759199
Energy: 1.705260009652146
Energy: 1.843796157759199
Energy: 1.705260009652146
Energy: 1.843796157759199
Energy: 1.2581405304820559
Energy: 1.552911616862807
Energy: 1.2581405304820559
Energy: 1.552911616862807
Energy: 1.2581405304820559
Energy: 1.552911616862807
Energy: 1.2070230317547483
Energy: 1.6963660572211605
Energy: 1.2070230317547483
Energy: 1.6963660572211605
Energy: 1.2070230317547483
Energy: 1.6963660572211605
Energy: 1.6594897813042337
Energy: 1.5348096665103317
Energy: 1.6594897813042337
Energy: 1.5348096665103317
Energy: 1.6594897813042337
Energy: 1.5348096665103317
Energy: 1.2061167887888475
Energy: 1.6958770341047273
Energy: 1.2061167887888475
Energy: 1.695877034108186
Energy: 1.2061167887888475
Energy: 1.6958770341047273
Energy: 1.2577518450480463
Energy: 1.5526794681109386
Energy: 1.2577518450480463
Energy: 1.5526794681074798
Energy: 1.2577518450480463
Energy: 1.5526794681074798
Energy: 1.7050570497772657
Energy: 1.8436798841466437
Energy: 1.7050570497772657
Energy: 1.8436798841466437
Energy: 1.7050570497772657
Energy: 1.8436798841466437
Energy: 2.0543077661926974
Energy: 1.2338474553900356
Energy: 2.0543077661926974
Energy: 1.2338474553865768
Energy: 2.0543077661926974
Energy: 1.2338474553865768
Energy: 1.241258112455021
Energy: 1.6128552111742136
Energy: 1.241258112455021
Energy: 1.6128552111742136
Energy: 1.241258112455021
Energy: 1.6128552111742136
Energy: 1.3101717786110898
Energy: 1.5672811525139065
Energy: 1.3101717786110898
Energy: 1.5672811525139065
Energy: 1.3101717786110898
Energy: 1.5672811525139065
Energy: 1.2950447768898095
Energy: 1.3529711938773947
Energy: 1.2950447772182636
Energy: 1.3529711938773947
Energy: 1.2950447774982954
Energy: 1.3529711938773947
Energy: 1.3760569185435474
Energy: 1.211611716422529
Energy: 1.3760569185435474
Energy: 1.211611716422529
Energy: 1.3760569185435474
Energy: 1.211611716422529
Energy: 1.2583608077145718
Energy: 1.2332591493859955
Energy: 1.2583608077145718
Energy: 1.2332591493859955
Energy: 1.2583608077145718
Energy: 1.2332591493859955
Energy: 1.5452114928473324
Energy: 2.114717964764956
Energy: 1.5452114928473324
Energy: 2.114717964764956
Energy: 1.5452114928473324
Energy: 2.114717964761497
Energy: 1.8982622724180036
Energy: 1.4415752615250588
Energy: 1.8982622724180036
Energy: 1.4415752615250588
Energy: 1.8982622724180036
Energy: 1.4415752615250588
Energy: 1.2097133549968697
Energy: 1.5794907927900212
Energy: 1.2097133549968697
Energy: 1.5794907927900212
Energy: 1.2097133549968697
Energy: 1.5794907927900212
Energy: 1.2589654371350325
Energy: 1.5776883539688256
Energy: 1.2589654371350325
Energy: 1.5776883539653668
Energy: 1.2589654371350325
Energy: 1.5776883539688256
Energy: 1.6569966847639728
Energy: 1.9764823014416046
Energy: 1.6569966847639728
Energy: 1.9764823014519806
Energy: 1.6569966847639728
Energy: 1.9764823014519806
Energy: 1.5616160513950996
Energy: 1.442301925036104
Energy: 1.5616160513950996
Energy: 1.442301925036104
Energy: 1.5616160513950996
Energy: 1.442301925036104
Energy: 1.2577958025216847
Energy: 1.2270875700202204
Energy: 1.2577958025216847
Energy: 1.2270875700202204
Energy: 1.2577958025216847
Energy: 1.2270875700202204
Energy: 1.2917581946310057
Energy: 2.2615590484367853
Energy: 1.2917581946310057
Energy: 2.2615590484367853
Energy: 1.2917581946344645
Energy: 2.2615590484437025
Energy: 1.8549222847675064
Energy: 1.6080848377835422
Energy: 1.8549222847709654
Energy: 1.6080848377835422
Energy: 1.8549222847709654
Energy: 1.6080848377835422
Energy: 1.3104356719846217
Energy: 1.5649876154619236
Energy: 1.3104356719846217
Energy: 1.5649876154619236
Energy: 1.3104356719811627
Energy: 1.5649876154619236
Energy: 1.8544049737511856
Energy: 1.6466116343908026
Energy: 1.8544049737546442
Energy: 1.6466116343908026
Energy: 1.8544049737511856
Energy: 1.6466116343908026
Energy: 1.2919669756542669
Energy: 2.269114813611151
Energy: 1.2919669756542669
Energy: 2.269114813607692
Energy: 1.2919669756542669
Energy: 2.269114813611151
Energy: 1.257430903106249
Energy: 1.2271291576532652
Energy: 1.257430903106249
Energy: 1.2271291576532652
Energy: 1.257430903106249
Energy: 1.2271291576498065
Energy: 1.5613774544281298
Energy: 1.4427709527967956
Energy: 1.5613774544281298
Energy: 1.4427709527967956
Energy: 1.5613774544281298
Energy: 1.4427709527933368

minimum gb energy = 1.2061167887888475 eV
minimum distance =  2.56636293855799 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.5598046059987187
Energy: 0.5740492248959603
Energy: 0.5598046059979314
Energy: 0.574049224895173
Energy: 0.5598046059987187
Energy: 0.574049224895173
Energy: 1.5561695017852544
Energy: 0.5763229136069216
Energy: 1.5561695017852544
Energy: 0.5763229136092479
Energy: 1.5561695017852544
Energy: 0.5763229136069216
Energy: 0.6327172096710354
Energy: 1.492505628641648
Energy: 0.6327172096718227
Energy: 1.492505628641648
Energy: 0.6327172096718227
Energy: 1.492505628641648
Energy: 0.5758042246310652
Energy: 0.5594970175061276
Energy: 0.5758042246334272
Energy: 0.5594970175053402
Energy: 0.5758042246318525
Energy: 0.5594970175053402
Energy: 0.7224149325807707
Energy: 0.726809811822783
Energy: 0.7224149325823452
Energy: 0.726809811822783
Energy: 0.7224149325831326
Energy: 0.726809811822783
Energy: 0.5597146289811649
Energy: 1.8376540348170796
Energy: 0.5597146289795902
Energy: 1.8376540348162922
Energy: 0.5597146289811649
Energy: 1.8376540348162922
Energy: 0.5597109915591805
Energy: 1.8376273338801787
Energy: 0.5597109915591805
Energy: 1.837627333880966
Energy: 0.5597109915591805
Energy: 1.837627333880966
Energy: 0.7225524806981689
Energy: 0.7269215878330668
Energy: 0.7225524806965943
Energy: 0.7269215878338541
Energy: 0.7225524806989564
Energy: 0.7269215878322793
Energy: 0.5757874579273694
Energy: 0.5595054023064171
Energy: 0.5757874579273694
Energy: 0.5595054023064171
Energy: 0.5757874579281568
Energy: 0.5595054023056298
Energy: 0.6325124199663803
Energy: 1.492335590122914
Energy: 0.6325124199663803
Energy: 1.492335590120588
Energy: 0.6325124199663803
Energy: 1.4923355901221267
Energy: 1.5562811347786623
Energy: 0.575021856755648
Energy: 1.5562811347770875
Energy: 0.5752496693448431
Energy: 1.5562811347770875
Energy: 0.5750156863292218
Energy: 0.5598046059979314
Energy: 0.5740492248935983
Energy: 0.5598046059979314
Energy: 0.5740492248959603
Energy: 0.5598046059987187
Energy: 0.5740492248943856
Energy: 1.5561695017852544
Energy: 0.5763229136053469
Energy: 1.5561695017852544
Energy: 0.5763229136061344
Energy: 1.5561695017852544
Energy: 0.5763229136069216
Energy: 0.6327172096718227
Energy: 1.4925056286424352
Energy: 0.63271720967261
Energy: 1.4925056286432226
Energy: 0.63271720967261
Energy: 1.4925056286424352
Energy: 0.5758042246318525
Energy: 0.5594970175053402
Energy: 0.5758042246342145
Energy: 0.5594970175061276
Energy: 0.5758042246302778
Energy: 0.5594970175061276
Energy: 0.7224149325823452
Energy: 0.726809811822783
Energy: 0.7224149325823452
Energy: 0.726809811822783
Energy: 0.7224149325823452
Energy: 0.7268098118219958
Energy: 0.5597146289819522
Energy: 1.8376540348162922
Energy: 0.5597146289803776
Energy: 1.8376540348162922
Energy: 0.5597146289819522
Energy: 1.8376540348162922
Energy: 0.5597109915568186
Energy: 1.8376273338801787
Energy: 0.5597109915583932
Energy: 1.8376273338801787
Energy: 0.5597109915576058
Energy: 1.837627333880966
Energy: 0.7225524806981689
Energy: 0.7269215878338541
Energy: 0.7225524806950198
Energy: 0.7269215878314921
Energy: 0.7225524806973818
Energy: 0.7269215878314921

minimum gb energy = 0.5594970175053402 eV
minimum distance =  2.6768321853604 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.3008772215518163
Energy: 1.3440623474742228
Energy: 1.3008772215523934
Energy: 1.3440623474736462
Energy: 1.3008772215523934
Energy: 1.3440623474736462
Energy: 1.4293148694311255
Energy: 1.2654901131595684
Energy: 1.4293148694317022
Energy: 1.2654901131589915
Energy: 1.429314869432279
Energy: 1.2654901131584149
Energy: 1.454099804682479
Energy: 2.7427654602934193
Energy: 1.4540998046819023
Energy: 2.7427654602934193
Energy: 1.4540998046819023
Energy: 2.7427654602939953
Energy: 1.6403886232686966
Energy: 1.1450933182781184
Energy: 1.6403886232686966
Energy: 1.1450933182775418
Energy: 1.6403886232692733
Energy: 1.1450933182786953
Energy: 1.328910764321743
Energy: 1.0960432424434916
Energy: 1.3289107643223197
Energy: 1.0960432424429147
Energy: 1.3289107643223197
Energy: 1.0960432424429147
Energy: 1.2711885228823234
Energy: 1.5636720233367105
Energy: 1.2711885228996254
Energy: 1.5636720233367105
Energy: 1.2711885228805933
Energy: 1.5636720233367105
Energy: 1.0756558417640993
Energy: 2.3873159772179493
Energy: 1.0756558417646762
Energy: 2.3873159772179493
Energy: 1.0756558417640993
Energy: 2.3873159772179493
Energy: 1.3690486454834951
Energy: 1.0483807759887382
Energy: 1.3690486454834951
Energy: 1.0483807759887382
Energy: 1.3690486454834951
Energy: 1.0483807759881614
Energy: 1.367207735839271
Energy: 1.0549688045333852
Energy: 1.3672077358398473
Energy: 1.0549688045328085
Energy: 1.367207735839271
Energy: 1.054968804531078
Energy: 1.0581811128123213
Energy: 2.2547338325023265
Energy: 1.0581811128117447
Energy: 2.2547338325023265
Energy: 1.0581811128105911
Energy: 2.2547338325023265
Energy: 1.6902732182537619
Energy: 1.797184400212499
Energy: 1.6902732182543385
Energy: 1.7971844002113455
Energy: 1.6902732182549152
Energy: 1.797184400211922
Energy: 1.3308272962997707
Energy: 1.100918792501446
Energy: 1.3308272962997707
Energy: 1.100918792501446
Energy: 1.3308272963003474
Energy: 1.1009187925008694
Energy: 1.3764464785957007
Energy: 1.1719697212220854
Energy: 1.3764464785957007
Energy: 1.1719697212226619
Energy: 1.3764464785957007
Energy: 1.1719697212220854
Energy: 1.4426945954564099
Energy: 2.5235240181619143
Energy: 1.4426945954558332
Energy: 2.5235240181619143
Energy: 1.4426945954558332
Energy: 2.5235240181613374
Energy: 1.4208015463991128
Energy: 1.3067669063074205
Energy: 1.4208015464043036
Energy: 1.3067669063074205
Energy: 1.42080154639969
Energy: 1.306766906306844
Energy: 1.3030816016442446
Energy: 1.3450946644553403
Energy: 1.3030816016442446
Energy: 1.3450946644553403
Energy: 1.3030816016442446
Energy: 1.3450946644553403
Energy: 1.2305708344861233
Energy: 1.261093486549531
Energy: 1.2305708344867001
Energy: 1.261093486549531
Energy: 1.2305708344867001
Energy: 1.261093486548954
Energy: 1.6654735927116704
Energy: 2.120877649262451
Energy: 1.6654735927116704
Energy: 2.1208776492630275
Energy: 1.665473592712247
Energy: 2.1208776492630275
Energy: 1.9307083231606463
Energy: 1.116569709474995
Energy: 1.930708323161223
Energy: 1.1165697094726876
Energy: 1.930708323161223
Energy: 1.1165697094686506
Energy: 1.3310619340116077
Energy: 1.2330146977066305
Energy: 1.3310619340116077
Energy: 1.2330146977072072
Energy: 1.3310619340110308
Energy: 1.2330146977043235
Energy: 1.0613643714442227
Energy: 1.562376810789581
Energy: 1.0613643714442227
Energy: 1.5623768107890041
Energy: 1.061364371443646
Energy: 1.5623768107890041
Energy: 1.777195909133478
Energy: 1.5971936387607144
Energy: 1.7771959092476195
Energy: 1.597193638758984
Energy: 1.777195909142129
Energy: 1.5971936387618677
Energy: 1.5659035905087844
Energy: 1.233269498179295
Energy: 1.5659035905087844
Energy: 1.233269498179872
Energy: 1.565903590509361
Energy: 1.233269498179295
Energy: 1.3669015521591639
Energy: 1.1932445089355967
Energy: 1.3669015521597405
Energy: 1.1932445089361732
Energy: 1.3669015521591639
Energy: 1.1932445089361732
Energy: 1.0613010529713578
Energy: 2.2857165737493492
Energy: 1.0613010529719347
Energy: 2.2857165737493492
Energy: 1.0613010529713578
Energy: 2.285716573748773
Energy: 2.6512211665463337
Energy: 1.6853939933970494
Energy: 2.6512211665463337
Energy: 1.6853939933976263
Energy: 2.6512211665463337
Energy: 1.6853939933976263

minimum gb energy = 1.0483807759881614 eV
minimum distance =  2.579259703057 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.5312288931645428
Energy: 1.2064326808024632
Energy: 1.5312288931649976
Energy: 1.2064326808024632
Energy: 1.5312288931645428
Energy: 1.2064326808024632
Energy: 1.5336175265802352
Energy: 1.5188390575830224
Energy: 1.5336175265802352
Energy: 1.5188390575830224
Energy: 1.5336175265793257
Energy: 1.5188390575830224
Energy: 1.7386644908193676
Energy: 2.0002062964093703
Energy: 1.7386644908193676
Energy: 2.0002062964066427
Energy: 1.7386644908193676
Energy: 2.0002062964089156
Energy: 1.4960590713584252
Energy: 1.191957771917288
Energy: 1.4960590713561939
Energy: 1.191957771916379
Energy: 1.4960590713571027
Energy: 1.1919577719168337
Energy: 1.1646503535418535
Energy: 1.2486172198635657
Energy: 1.1646503535418535
Energy: 1.2486172198640202
Energy: 1.1646503535409445
Energy: 1.2486172198635657
Energy: 1.46493547861834
Energy: 1.6960714762535791
Energy: 1.4649354786178854
Energy: 1.6960714762535791
Energy: 1.464935478617431
Energy: 1.6960714762535791
Energy: 1.7752528447662939
Energy: 2.07325293412502
Energy: 1.775252844765839
Energy: 2.07325293412502
Energy: 1.775252844765839
Energy: 2.0732529341254744
Energy: 1.5920436219424476
Energy: 1.1921548743835444
Energy: 1.592043621941993
Energy: 1.192154874383999
Energy: 1.592043621941993
Energy: 1.1921548743849082
Energy: 1.218933502099039
Energy: 1.242261743832522
Energy: 1.218933502099039
Energy: 1.242261743832522
Energy: 1.218933502099039
Energy: 1.2422617438320673
Energy: 1.3374585849705776
Energy: 1.9636166312574526
Energy: 1.337458584970123
Energy: 1.9636166312574526
Energy: 1.3374585849719411
Energy: 1.9636166312574526
Energy: 1.9229851701323437
Energy: 1.9932572398172614
Energy: 1.9229851701309801
Energy: 1.9932572398172614
Energy: 1.9229851701318894
Energy: 1.9932572398172614
Energy: 1.2957968178969503
Energy: 1.3531197501268903
Energy: 1.2957968178969503
Energy: 1.3531197501259813
Energy: 1.2957968178969503
Energy: 1.3531197501268903
Energy: 1.2301472332738577
Energy: 1.1923457586029842
Energy: 1.2301472332738577
Energy: 1.1923457586034387
Energy: 1.2301472332738577
Energy: 1.1923457586038932
Energy: 1.1569031548872617
Energy: 2.304099554414381
Energy: 1.1569031548872617
Energy: 2.3040995544148357
Energy: 1.1569031548872617
Energy: 2.3040995544148357
Energy: 1.893405407234758
Energy: 1.8309005365252444
Energy: 1.893405407234758
Energy: 1.8309005365247897
Energy: 1.8934054072343032
Energy: 1.8309005365252444
Energy: 1.1665422847844904
Energy: 1.4426985072202527
Energy: 1.1665422847844904
Energy: 1.4426985072197982
Energy: 1.1665422847844904
Energy: 1.4426985072197982
Energy: 1.2298531395068217
Energy: 1.1921825052963586
Energy: 1.2298531395068217
Energy: 1.1921825052968134
Energy: 1.2298531395072765
Energy: 1.1921825052968134
Energy: 1.5067384518923723
Energy: 2.1849989971819386
Energy: 1.5067384518919176
Energy: 2.1849989971783015
Energy: 1.5067384518923723
Energy: 2.184998997175574
Energy: 2.0122911362901412
Energy: 1.5091386321041425
Energy: 2.0122911362896865
Energy: 1.5091386321041425
Energy: 2.0122911362901412
Energy: 1.5091386321041425
Energy: 1.3514796874635717
Energy: 1.4143874053352075
Energy: 1.3514796874635717
Energy: 1.414387405336571
Energy: 1.3514796874631174
Energy: 1.4143874053352075
Energy: 1.2165125788991789
Energy: 1.4998197687275314
Energy: 1.2165125788991789
Energy: 1.4998197687270767
Energy: 1.2165125788991789
Energy: 1.4998197687270767
Energy: 1.7350516682680899
Energy: 2.1844812423093387
Energy: 1.7350516682685444
Energy: 2.184481242306611
Energy: 1.7350516682685444
Energy: 2.1844812423084297
Energy: 2.0242261625079396
Energy: 1.1874874446807528
Energy: 2.0242261625079396
Energy: 1.1874874446807528
Energy: 2.0242261625079396
Energy: 1.1874874446816617
Energy: 1.167102925233395
Energy: 1.4441314034520387
Energy: 1.1671029252365772
Energy: 1.4441314034520387
Energy: 1.1671029252361227
Energy: 1.4441314034524935
Energy: 1.1658645989294072
Energy: 1.697383795873522
Energy: 1.1658645989294072
Energy: 1.6973837958739766
Energy: 1.1658645989298617
Energy: 1.697383795873522
Energy: 1.775664459119831
Energy: 1.9218386251005104
Energy: 1.7756644591202855
Energy: 1.9218386250982378
Energy: 1.775664459119831
Energy: 1.9218386251005104
Energy: 1.144432043359915
Energy: 1.1918037205561676
Energy: 1.1444320433603699
Energy: 1.191803720556622
Energy: 1.144432043359915
Energy: 1.191803720556622
Energy: 1.2171245473579841
Energy: 1.384652033536207
Energy: 1.2171245473579841
Energy: 1.384652033536207
Energy: 1.2171245473575296
Energy: 1.384652033536207
Energy: 1.3456608235658933
Energy: 1.7371258824232596
Energy: 1.345660823564984
Energy: 1.7371258824232596
Energy: 1.345660823564075
Energy: 1.7371258824232596
Energy: 2.056974763711873
Energy: 1.8948770599697082
Energy: 2.0569747637105094
Energy: 1.894877059969254
Energy: 2.056974763710964
Energy: 1.894877059969254
Energy: 1.4486326099454523
Energy: 1.5638697648870692
Energy: 1.4486326099454523
Energy: 1.5638697648861601
Energy: 1.4486326099454523
Energy: 1.5638697648866149
Energy: 1.2314751146966423
Energy: 1.1924042904494767
Energy: 1.2314751146966423
Energy: 1.1924042904490222
Energy: 1.2314751146966423
Energy: 1.1924042904494767
Energy: 1.1563556062674898
Energy: 1.4297646065372258
Energy: 1.156355606268399
Energy: 1.4297646065372258
Energy: 1.1563556062665807
Energy: 1.4297646065367713

minimum gb energy = 1.144432043359915 eV
minimum distance =  2.58469679350422 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.3327473944735655
Energy: 1.2796613372118204
Energy: 1.3327473944735655
Energy: 1.2796613372118204
Energy: 1.3327473944735655
Energy: 1.2796613372118204
Energy: 1.6784075505887843
Energy: 1.1871956320729504
Energy: 1.6784075505887843
Energy: 1.1871956320729504
Energy: 1.6784075505887843
Energy: 1.1871956320729504
Energy: 1.849802841680363
Energy: 2.7240096516237915
Energy: 1.849802841683553
Energy: 2.7240096516237915
Energy: 1.849802841683553
Energy: 2.7240096516237915
Energy: 2.0296246993994074
Energy: 1.274362990912623
Energy: 2.0296246993994074
Energy: 1.274362990912623
Energy: 2.0296246993994074
Energy: 1.274362990912623
Energy: 1.2759050680749437
Energy: 1.8057373009845519
Energy: 1.2759050680749437
Energy: 1.8057373009845519
Energy: 1.2759050680749437
Energy: 1.8057373009845519
Energy: 1.899817507241852
Energy: 1.338686086777817
Energy: 1.899817507241852
Energy: 1.338686086777817
Energy: 1.899817507241852
Energy: 1.338686086777817
Energy: 1.662487905808957
Energy: 2.087610486035577
Energy: 1.6624879058057669
Energy: 2.087610486029197
Energy: 1.662487905808957
Energy: 2.087610486029197
Energy: 1.4087019150496722
Energy: 1.4863885568837916
Energy: 1.4087019150496722
Energy: 1.4863885568837916
Energy: 1.4087019150496722
Energy: 1.4863885568837916
Energy: 1.780141576510688
Energy: 1.3382934156178827
Energy: 1.780141576510688
Energy: 1.3382934156178827
Energy: 1.780141576510688
Energy: 1.3382934156178827
Energy: 1.9477719047449518
Energy: 1.4682086705873199
Energy: 1.947771904748142
Energy: 1.4682086705873199
Energy: 1.947771904748142
Energy: 1.4682086705873199
Energy: 2.316912648732418
Energy: 2.37673357446843
Energy: 2.316912648732418
Energy: 2.37673357446843
Energy: 2.316912648732418
Energy: 2.37673357446843
Energy: 2.061723591000413
Energy: 1.274666423150738
Energy: 2.061723590997223
Energy: 1.274666423150738
Energy: 2.061723590997223
Energy: 1.274666423150738
Energy: 1.3426113872917662
Energy: 1.8125152266318196
Energy: 1.3426113872917662
Energy: 1.8125152266318196
Energy: 1.3426113872917662
Energy: 1.8125152266318196
Energy: 1.8970020997444488
Energy: 1.79343807034325
Energy: 1.8970020997444488
Energy: 1.79343807034325
Energy: 1.8970020997444488
Energy: 1.79343807034325
Energy: 1.8860041067332594
Energy: 1.662322338223636
Energy: 1.8860041067332594
Energy: 1.662322338223636
Energy: 1.8860041067332594
Energy: 1.662322338223636
Energy: 1.463859715288779
Energy: 1.6481999473655684
Energy: 1.463859715288779
Energy: 1.6481999473655684
Energy: 1.463859715288779
Energy: 1.6481999473655684
Energy: 1.8345650840088654
Energy: 1.2753263220611075
Energy: 1.8345650840088654
Energy: 1.2753263220611075
Energy: 1.8345650840088654
Energy: 1.2753263220611075
Energy: 1.2558841643404783
Energy: 2.026988614571242
Energy: 1.2558841643436685
Energy: 2.026988614571242
Energy: 1.2558841643404783
Energy: 2.026988614571242
Energy: 2.1956235350346467
Energy: 1.8166505319947681
Energy: 2.1956235350346467
Energy: 1.8166505319947681
Energy: 2.1956235350346467
Energy: 1.8166505319947681
Energy: 1.7994509492297075
Energy: 1.3443001913892791
Energy: 1.7994509492265751
Energy: 1.3443001913892791
Energy: 1.7994509492297075
Energy: 1.3443001913892791
Energy: 1.2813015266211905
Energy: 1.3300164171974884
Energy: 1.2813015266211905
Energy: 1.3300164171974884
Energy: 1.2813015266211905
Energy: 1.3300164171974884
Energy: 1.1830247794966433
Energy: 1.681086404413715
Energy: 1.1830247794966433
Energy: 1.681086404413715
Energy: 1.1830247794966433
Energy: 1.681086404413715
Energy: 1.8731408458708916
Energy: 1.5873618914351348
Energy: 1.8731408458708916
Energy: 1.5873618914351348
Energy: 1.8731408458708916
Energy: 1.5873618914351348
Energy: 1.2775738068558655
Energy: 1.6330652178739886
Energy: 1.2775738068558655
Energy: 1.6330652178739886
Energy: 1.2775738068558655
Energy: 1.6330652178739886
Energy: 1.7788232112582911
Energy: 1.2753303342462288
Energy: 1.7788232112582911
Energy: 1.2753303342462288
Energy: 1.7788232112582911
Energy: 1.2753303342494189
Energy: 1.6576793798864715
Energy: 1.870135856650747
Energy: 1.6576793798832812
Energy: 1.870135856650747
Energy: 1.6576793798832812
Energy: 1.870135856650747
Energy: 2.2144206698004334
Energy: 1.6732250631647057
Energy: 2.2144206698004334
Energy: 1.6732250631647057
Energy: 2.2144206698004334
Energy: 1.6732250631647057
Energy: 1.3311304759420255
Energy: 1.2855716890828648
Energy: 1.3311304759388354
Energy: 1.2855716890828648
Energy: 1.3311304759420255
Energy: 1.2855716890828648
Energy: 1.338508655089506
Energy: 1.8976563014297825
Energy: 1.338508655089506
Energy: 1.8976563014297825
Energy: 1.338508655089506
Energy: 1.8976563014297825
Energy: 1.4728239869390098
Energy: 1.9438001478199052
Energy: 1.4728239869390098
Energy: 1.9438001478135245
Energy: 1.4728239869390098
Energy: 1.943800147816715
Energy: 2.029631675111121
Energy: 1.2561726102657509
Energy: 2.029631675111121
Energy: 1.2561726102593707
Energy: 2.029631675111121
Energy: 1.2561726102625606
Energy: 1.2776377461001243
Energy: 1.8526096825748257
Energy: 1.2776377461001243
Energy: 1.8526096825748257
Energy: 1.2776377461001243
Energy: 1.8526096825748257
Energy: 1.800357970341211
Energy: 1.3466741105128415
Energy: 1.800357970341211
Energy: 1.3466741105128415
Energy: 1.8003579703444013
Energy: 1.3466741105128415
Energy: 2.0874041875358773
Energy: 1.8983688371911283
Energy: 2.0874041875358773
Energy: 1.8983688371911283
Energy: 2.0874041875358773
Energy: 1.8983688371911283
Energy: 2.0876267440109797
Energy: 1.8981330470389814
Energy: 2.0876267440109797
Energy: 1.8981330470485522
Energy: 2.0876267440109797
Energy: 1.8981330470389814
Energy: 1.8003212079895161
Energy: 1.3382273702076606
Energy: 1.8003212079895161
Energy: 1.338227370210851
Energy: 1.8003212079895161
Energy: 1.338227370210851
Energy: 1.2776609263464265
Energy: 1.8527104398053444
Energy: 1.2776609263464265
Energy: 1.8527104398053444
Energy: 1.2776609263464265
Energy: 1.8527104398053444
Energy: 2.02956859931798
Energy: 1.2562070164958714
Energy: 2.02956859931798
Energy: 1.2562070164958714
Energy: 2.02956859931798
Energy: 1.2562070164958714
Energy: 1.4728252224281222
Energy: 1.9437200765921254
Energy: 1.4728252224281222
Energy: 1.9437200765921254
Energy: 1.4728252224281222
Energy: 1.9437200765953155
Energy: 1.338729557538668
Energy: 1.8985230842326977
Energy: 1.338729557538668
Energy: 1.8985230842326977
Energy: 1.338729557538668
Energy: 1.8985230842326977
Energy: 1.3335365616378312
Energy: 1.2855830228632579
Energy: 1.3335365616378312
Energy: 1.2855830228632579
Energy: 1.3335365616378312
Energy: 1.2855830228632579
Energy: 2.2145192659223474
Energy: 1.6630341595773999
Energy: 2.2145192659223474
Energy: 1.6630341595773999
Energy: 2.2145192659223474
Energy: 1.6630341595773999
Energy: 1.6576295075440308
Energy: 1.8683591110625142
Energy: 1.6576295075440308
Energy: 1.8683591110625142
Energy: 1.6576295075440308
Energy: 1.8683591110625142
Energy: 1.778479865163416
Energy: 1.2750361954995493
Energy: 1.778479865163416
Energy: 1.2750361954995493
Energy: 1.778479865163416
Energy: 1.2750361954995493
Energy: 1.2775900620921086
Energy: 1.6332661998504632
Energy: 1.2775900620921086
Energy: 1.6332661998504632
Energy: 1.2775900620921086
Energy: 1.6332661998472728
Energy: 1.8723908116920918
Energy: 1.5874912100780458
Energy: 1.8723908116920918
Energy: 1.5874912100780458
Energy: 1.8723908116920918
Energy: 1.5874912100780458
Energy: 1.1831276140379272
Energy: 1.6807025845763512
Energy: 1.1831276140347369
Energy: 1.6807025845763512
Energy: 1.1831276140379272
Energy: 1.6807025845763512

minimum gb energy = 1.1830247794966433 eV
minimum distance =  2.4944428836433 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.4023871514691895
Energy: 1.2408588588913032
Energy: 1.4023871514691895
Energy: 1.2408588588913032
Energy: 1.4023871514691895
Energy: 1.2408588588913032
Energy: 1.3834628836087395
Energy: 1.2210378352123377
Energy: 1.3834628836087395
Energy: 1.22103783521447
Energy: 1.3834628836087395
Energy: 1.2210378352123377
Energy: 1.1636069999661949
Energy: 2.3479834820704437
Energy: 1.1636069999661949
Energy: 2.347983482068312
Energy: 1.1636069999661949
Energy: 2.347983482068312
Energy: 1.3834579681553463
Energy: 1.221016787227964
Energy: 1.3834579681553463
Energy: 1.221016787227964
Energy: 1.3834579681553463
Energy: 1.221016787227964
Energy: 1.4023871514691895
Energy: 1.2408588588913032
Energy: 1.4023871514691895
Energy: 1.2408588588913032
Energy: 1.4023871514691895
Energy: 1.2408588588913032
Energy: 1.3834628836087395
Energy: 1.22103783521447
Energy: 1.3834628836087395
Energy: 1.22103783521447
Energy: 1.3834628836087395
Energy: 1.22103783521447
Energy: 1.1636069999661949
Energy: 2.3479834820704437
Energy: 1.1636069999661949
Energy: 2.347983482068312
Energy: 1.1636069999661949
Energy: 2.347983482068312

minimum gb energy = 1.1636069999661949 eV
minimum distance =  2.60338052606952 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.8693934416632056
Energy: 1.621020498901232
Energy: 1.8183497677637919
Energy: 1.621020498901232
Energy: 1.8693934416632056
Energy: 1.621020498901232
Energy: 1.9132239342407988
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Energy: 1.6983439709999382
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Energy: 1.870748653416854
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Energy: 2.1064164630789564
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Energy: 1.898085882172114
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Energy: 2.0553574044567133
Energy: 1.7088528409246624
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Energy: 1.7088528409217614
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Energy: 1.811009849703517
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Energy: 1.7010619450240556
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Energy: 1.6667517949446269
Energy: 2.1900465837973044
Energy: 1.9056868287127853
Energy: 2.161934745286285
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Energy: 2.1900465837973044
Energy: 1.9056868287098838
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Energy: 2.2257779020443147
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Energy: 2.072209730246787
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Energy: 1.8010402420497877
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Energy: 1.8135877507120606
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Energy: 1.8136516873655648
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Energy: 1.8135877507091593
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Energy: 1.7849767693874
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Energy: 1.5841247468369184
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Energy: 1.5841247468369184
Energy: 1.5218376890346945
Energy: 2.1679669767950043
Energy: 1.5218376890346945
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Energy: 1.5218376890346945
Energy: 2.167966976792103
Energy: 1.7273640846706402
Energy: 1.9279955467023668
Energy: 1.7273640846706402
Energy: 1.9279955467023668
Energy: 1.7273640846706402
Energy: 1.9279955467023668
Energy: 1.87344640363391
Energy: 1.8078439699043984
Energy: 1.87344665945834
Energy: 1.8078439698985955
Energy: 1.8734464036310083
Energy: 1.8078439698985955
Energy: 2.238956613585499
Energy: 1.6169322735610538
Energy: 2.238956613585499
Energy: 1.6169322735610538
Energy: 2.238956613582597
Energy: 1.6169322735610538
Energy: 1.6825391159356498
Energy: 2.1663726875854197
Energy: 1.6825391159356498
Energy: 2.1663726875854197
Energy: 1.6825391159356498
Energy: 2.1663726875854197
Energy: 1.7293010313336628
Energy: 1.7222041379445052
Energy: 1.7293010313365642
Energy: 1.7222041379474067
Energy: 1.7293010313336628
Energy: 1.7222041379474067
Energy: 2.060039440425113
Energy: 1.7707854796806866
Energy: 2.060039440425113
Energy: 1.7707854796777853
Energy: 2.060039440425113
Energy: 1.7707854796777853
Energy: 2.2089064030497325
Energy: 1.867866362648245
Energy: 2.2089064030468313
Energy: 1.8678663626511463
Energy: 2.2089064030497325
Energy: 1.8678663626511463
Energy: 1.6512881891610212
Energy: 2.1142321581175034
Energy: 1.6512886340428552
Energy: 2.1142321581232535
Energy: 1.6512881891610212
Energy: 2.1142321581232535
Energy: 1.585576241119956
Energy: 1.7345000928615415
Energy: 1.585576241119956
Energy: 1.7345000928615415
Energy: 1.585576241119956
Energy: 1.7345000928615415
Energy: 1.893607758108995
Energy: 1.7612659243855389
Energy: 1.8936077581060937
Energy: 1.7612659243855389
Energy: 1.893607758108995
Energy: 1.7612659243855389
Energy: 2.110775234307396
Energy: 2.150395544141805
Energy: 2.110775234307396
Energy: 2.150395544141805
Energy: 2.110775234307396
Energy: 2.150395544141805
Energy: 1.8143854238387962
Energy: 2.1249421415019234
Energy: 1.8142777079168821
Energy: 2.1249421415048246
Energy: 1.8143854238387962
Energy: 2.1249421415019234

minimum gb energy = 1.5165446671240157 eV
minimum distance =  2.52694252918731 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.9146751112498415
Energy: 1.776600392344912
Energy: 1.8670348492907112
Energy: 1.7766003923429212
Energy: 1.9146751112490452
Energy: 1.7766003923433193
Energy: 1.588231568370269
Energy: 1.804762746600119
Energy: 1.5882315683694728
Energy: 1.8047627466009153
Energy: 1.5882315683682782
Energy: 1.8047627466009153
Energy: 1.6925985835918296
Energy: 1.9579273421685608
Energy: 1.7176708416060122
Energy: 1.9579273421689594
Energy: 1.6925985835914314
Energy: 1.9579273421685608
Energy: 1.6611561626979718
Energy: 2.0649666789361953
Energy: 1.6611561626979718
Energy: 2.06496667893739
Energy: 1.6611561626979718
Energy: 2.06496667893739
Energy: 1.6035057889038766
Energy: 1.6285686228129497
Energy: 1.603505788902682
Energy: 1.6285686228125515
Energy: 1.6035057889030804
Energy: 1.6285686228125515
Energy: 1.7058553652778023
Energy: 1.9626392468171294
Energy: 1.7058553652778023
Energy: 1.9626392468175275
Energy: 1.7058553652782003
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Energy: 1.723553904333845
Energy: 1.9507805908093816
Energy: 1.7235701039859797
Energy: 1.9507805908073905
Energy: 1.723553904335438
Energy: 1.950780590808585
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Energy: 1.7226482744693754
Energy: 2.1492874820209624
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Energy: 2.0257161364691463
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Energy: 1.7127393217692992
Energy: 1.7539616386126815
Energy: 1.7127393217700957
Energy: 1.7539616386114867
Energy: 1.7127393217692992
Energy: 1.7539616386110886
Energy: 1.689322439567705
Energy: 1.8094703854147507
Energy: 1.689322439569696
Energy: 1.80947038541714
Energy: 1.6893224395688997
Energy: 1.809470385417538
Energy: 1.9153684963495212
Energy: 1.9559249172454385
Energy: 1.9153684963503175
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Energy: 1.9153684963503175
Energy: 1.9559249172454385
Energy: 2.08550121466724
Energy: 1.7473845861493231
Energy: 2.0855012146664436
Energy: 1.747384586148925
Energy: 2.085501214665249
Energy: 1.747384586148925
Energy: 1.8135499639660626
Energy: 1.547588828962588
Energy: 1.813549963966461
Energy: 1.547588828964181
Energy: 1.8135499639676556
Energy: 1.5475888289653754
Energy: 1.7769188851352955
Energy: 1.816726925683381
Energy: 1.776918885134101
Energy: 1.8167269256825844
Energy: 1.7769188851337026
Energy: 1.8167269256825844
Energy: 1.7844162455057464
Energy: 1.803375437364415
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Energy: 1.7844162455061443
Energy: 1.803375437364415
Energy: 2.046049321352561
Energy: 1.7339788012018493
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Energy: 1.7339788012010526
Energy: 2.0460493213513664
Energy: 1.7339788012010526
Energy: 1.8317897340602876
Energy: 1.7499566045268808
Energy: 1.831789734060686
Energy: 1.7499566045280757
Energy: 1.8317897340598892
Energy: 1.7499566045280757
Energy: 1.6307903179912404
Energy: 1.8016469087542857
Energy: 1.6307903179912404
Energy: 1.801646908754684
Energy: 1.6307903179892491
Energy: 1.8016469087550824
Energy: 2.025939793033653
Energy: 1.9424504950846144
Energy: 1.9782071712632527
Energy: 1.942450495086606
Energy: 2.025939793034052
Energy: 1.942450495086606
Energy: 2.090474648447661
Energy: 1.7835370480525565
Energy: 2.024277726021697
Energy: 1.7835370480533532
Energy: 2.0904746484488554
Energy: 1.7835370480537511
Energy: 1.8866168658229523
Energy: 1.8489113012570655
Energy: 1.8866168658225544
Energy: 1.848911301257862
Energy: 1.8866168658225544
Energy: 1.848911301257464
Energy: 1.8002291802673787
Energy: 1.7730055224986268
Energy: 1.800229180268175
Energy: 1.7730055224970338
Energy: 1.8002291802685728
Energy: 1.7730055224970338
Energy: 2.185433108839446
Energy: 1.8821233444562588
Energy: 2.1854331088402423
Energy: 1.882123344456657
Energy: 2.1854331088398444
Energy: 1.8821233444570549
Energy: 1.6564583419799481
Energy: 1.6558618210072225
Energy: 1.6564583419799481
Energy: 1.6558618210056295
Energy: 1.6564583419799481
Energy: 1.6558618210056295
Energy: 1.7507230359796413
Energy: 1.7794290677836329
Energy: 1.75099037044016
Energy: 1.779429067784031
Energy: 1.750723035979243
Energy: 1.7794290677836329
Energy: 1.8046171739019101
Energy: 1.586502643523672
Energy: 1.804612050604991
Energy: 1.5865026435228757
Energy: 1.804617173903105
Energy: 1.5865026435228757
Energy: 1.959046517782964
Energy: 1.6325841224978048
Energy: 1.9590465177833623
Energy: 1.6325841224970081
Energy: 1.9590465177837604
Energy: 1.6325841224966102
Energy: 2.0665823827660508
Energy: 2.082384185106077
Energy: 2.066582382765652
Energy: 2.082384185107272
Energy: 2.066582382764458
Energy: 2.0823841851068736
Energy: 1.5640635271018353
Energy: 1.829674404179115
Energy: 1.5640635271022336
Energy: 1.8296744041779203
Energy: 1.5640635271022336
Energy: 1.8296744041783184
Energy: 1.6947890698043981
Energy: 1.7594436504847273
Energy: 1.6947890698047963
Energy: 1.7594436504815416
Energy: 1.694789069805593
Energy: 1.7594436504823383
Energy: 1.9290406781067997
Energy: 1.6491397156351681
Energy: 1.9290406781067997
Energy: 1.649139715636363
Energy: 1.929040678107198
Energy: 1.6491397156359646
Energy: 1.8351671274340777
Energy: 2.1278776810540174
Energy: 1.8351710678486035
Energy: 2.1278776810532207
Energy: 1.8351671274348742
Energy: 2.1278776810528224
Energy: 1.842640826893332
Energy: 1.848430481275789
Energy: 1.8426408268941286
Energy: 1.8484304812765855
Energy: 1.8426408268941286
Energy: 1.848430481275789
Energy: 1.80174704810435
Energy: 1.8862826535362216
Energy: 1.80174704810435
Energy: 1.8862826535358235
Energy: 1.8017470481055446
Energy: 1.8862826535358235
Energy: 1.9466476732543256
Energy: 1.9549499726580313
Energy: 1.9466476732547235
Energy: 1.9549499726580313
Energy: 1.9466476732559186
Energy: 1.9549499726580313

minimum gb energy = 1.547588828962588 eV
minimum distance =  2.55488281692662 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.15013644865169
Energy: 1.5192437930679854
Energy: 2.15013644865169
Energy: 1.5192437930674965
Energy: 2.15013644865169
Energy: 1.5192437930674965
Energy: 1.8331663712783428
Energy: 1.8501143152074104
Energy: 1.8331663712783428
Energy: 1.8501143152074104
Energy: 1.8331663712783428
Energy: 1.8501143152078994
Energy: 1.58044385336497
Energy: 2.053123854491264
Energy: 1.58044385336497
Energy: 2.053123854491264
Energy: 1.5804438533654592
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Energy: 1.9151654029605618
Energy: 1.7300123616233545
Energy: 1.9151654029605618
Energy: 1.7300123616233545
Energy: 1.9151654029605618
Energy: 1.7300123616233545
Energy: 1.9448649063631758
Energy: 1.6596623454834976
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Energy: 1.6596623454830086
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Energy: 1.6596623454834976
Energy: 1.689350269172106
Energy: 2.022270048808171
Energy: 1.689350269172106
Energy: 2.022270048808171
Energy: 1.689350269172106
Energy: 2.022270048808171
Energy: 1.9629254465082149
Energy: 2.0715710046618434
Energy: 1.9629254465077255
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Energy: 1.9629254465077255
Energy: 2.0715710046618434
Energy: 1.8695494533853778
Energy: 1.6722127538374627
Energy: 1.8695494533853778
Energy: 1.6722127538374627
Energy: 1.8695494533853778
Energy: 1.6722127538374627
Energy: 1.8815151653996092
Energy: 1.7317834449226497
Energy: 1.8815151653991198
Energy: 1.7317834449221603
Energy: 1.8815151653991198
Energy: 1.7317834449226497
Energy: 1.5711488539878558
Energy: 1.8682043553869059
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Energy: 1.8682043553859276
Energy: 1.5711488539878558
Energy: 1.8682043553854384
Energy: 2.1178036711723767
Energy: 1.8081192914970805
Energy: 2.1178036711728656
Energy: 1.8081192914970805
Energy: 2.1178036711728656
Energy: 1.8081192914970805
Energy: 1.8851370055109269
Energy: 1.7533031268694212
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Energy: 1.7533031268699104
Energy: 1.8851370055109269
Energy: 1.7533031268694212
Energy: 1.7942239134934919
Energy: 1.9537317755421475
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Energy: 1.9537317755421475
Energy: 1.7942239134934919
Energy: 1.9537317755421475
Energy: 1.7426262735561993
Energy: 2.098538035295383
Energy: 1.7426262735566884
Energy: 2.098538035295383
Energy: 1.7426262735561993
Energy: 2.098538035295383
Energy: 1.8334690895059564
Energy: 1.6387406652743972
Energy: 1.8334690895064458
Energy: 1.6387406652743972
Energy: 1.8334690895059564
Energy: 1.6387406652743972
Energy: 1.760881713467372
Energy: 1.718574697721041
Energy: 1.760881713467372
Energy: 1.718574697721041
Energy: 1.760881713467372
Energy: 1.718574697721041
Energy: 1.810445808978708
Energy: 1.8111632657552852
Energy: 1.810445808978708
Energy: 1.8111632657552852
Energy: 1.810445808978708
Energy: 1.8111632657552852
Energy: 2.113481878692477
Energy: 1.8258687143833845
Energy: 2.113481878692477
Energy: 1.8258687143833845
Energy: 2.113481878692477
Energy: 1.8258687143833845
Energy: 2.1334647508716653
Energy: 1.7650983428091218
Energy: 2.1334647508721547
Energy: 1.7650983428091218
Energy: 2.1334647508721547
Energy: 1.7650983428091218
Energy: 1.7268736056249874
Energy: 1.8383711026157
Energy: 1.7268736056244984
Energy: 1.8383711026157
Energy: 1.7268736056249874
Energy: 1.8383711026157
Energy: 1.79954569087749
Energy: 1.6796618006780764
Energy: 1.79954569087749
Energy: 1.679661800677587
Energy: 1.79954569087749
Energy: 1.679661800677587
Energy: 1.9918882301861973
Energy: 1.4676408005440182
Energy: 1.9918882301857082
Energy: 1.4676408005440182
Energy: 1.9918882301861973
Energy: 1.4676408005440182
Energy: 1.7867286605697443
Energy: 1.8425671021836894
Energy: 1.7867286605697443
Energy: 1.8425671021836894
Energy: 1.7867286605697443
Energy: 1.8425671021836894
Energy: 1.621988280425843
Energy: 1.9558391261211703
Energy: 1.621988280425843
Energy: 1.9558391261211703
Energy: 1.621988280425843
Energy: 1.9558391261211703
Energy: 1.8635228539394382
Energy: 1.7065220815143287
Energy: 1.8635228539394382
Energy: 1.7065220815143287
Energy: 1.8635228539394382
Energy: 1.7065220815138398
Energy: 2.0626741979216225
Energy: 1.617937899638838
Energy: 2.0626741979216225
Energy: 1.617937899638349
Energy: 2.0626741979216225
Energy: 1.617937899638349
Energy: 1.7150854353482927
Energy: 1.892948020266679
Energy: 1.7150854353482927
Energy: 1.8929480202661901
Energy: 1.7150854353482927
Energy: 1.892948020266679
Energy: 1.7765345515448865
Energy: 1.7318473560486425
Energy: 1.7765345515448865
Energy: 1.7318473560481533
Energy: 1.7765345515448865
Energy: 1.7318473560486425
Energy: 1.9379882995269764
Energy: 1.6671101862217133
Energy: 1.9379882995269764
Energy: 1.6671101862222026
Energy: 1.9379882995269764
Energy: 1.6671101862217133
Energy: 1.9100454999600116
Energy: 2.0696658180663836
Energy: 1.9100454999600116
Energy: 2.0696658180663836
Energy: 1.9100454999605008
Energy: 2.0696658180663836
Energy: 1.7198116499719
Energy: 1.9911051694253628
Energy: 1.7198116499719
Energy: 1.9911051694253628
Energy: 1.719811649972389
Energy: 1.9911051694253628

minimum gb energy = 1.4676408005440182 eV
minimum distance =  2.49860667871176 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.046253338015604
Energy: 1.4944868841027794
Energy: 2.0462533380149712
Energy: 1.494486884103413
Energy: 2.0462533380149712
Energy: 1.4944868841027794
Energy: 1.6076103733286267
Energy: 1.7077502758993464
Energy: 1.6076103733286267
Energy: 1.7077502758993464
Energy: 1.6076103733286267
Energy: 1.7077502758993464
Energy: 1.5265213513318143
Energy: 2.0127057647052635
Energy: 1.5265213513324476
Energy: 2.0127057647052635
Energy: 1.5265213513318143
Energy: 2.0127057647046303
Energy: 1.9873297772030465
Energy: 1.8103873912744541
Energy: 1.9873297772024132
Energy: 1.8103873912738206
Energy: 1.9873297772030465
Energy: 1.8103873912738206
Energy: 2.012459330434526
Energy: 1.7868599054111443
Energy: 2.012459330434526
Energy: 1.7868599054111443
Energy: 2.0124593304351595
Energy: 1.7868599054117775
Energy: 1.5267540134465123
Energy: 1.6560685722783544
Energy: 1.5267540134458792
Energy: 1.6560685722777209
Energy: 1.5267540134458792
Energy: 1.6560685722777209
Energy: 1.8948759881413475
Energy: 1.749341962665326
Energy: 1.8948759881419808
Energy: 1.749341962665326
Energy: 1.8948759881413475
Energy: 1.7493419626659592
Energy: 1.8928430665891856
Energy: 1.7481497106519583
Energy: 1.8928430665898184
Energy: 1.7481497106525916
Energy: 1.8928430665891856
Energy: 1.7481497106519583
Energy: 1.7506850954489126
Energy: 1.710437648160674
Energy: 1.7506850954489126
Energy: 1.710437648160674
Energy: 1.750685095449546
Energy: 1.710437648160674
Energy: 1.2795765154875656
Energy: 1.5788841068248032
Energy: 1.2795765154875656
Energy: 1.5788841068241697
Energy: 1.2795765154875656
Energy: 1.5788841068248032
Energy: 1.8529972067990443
Energy: 1.8107909261254544
Energy: 1.8529972067990443
Energy: 1.8107909261254544
Energy: 1.8529972067990443
Energy: 1.8107909261248214
Energy: 1.7026038265535353
Energy: 1.843971964349022
Energy: 1.7026038265522687
Energy: 1.843971964349022
Energy: 1.7026038265529018
Energy: 1.843971964349022
Energy: 1.5848296161868698
Energy: 1.8579224116637134
Energy: 1.584829616187503
Energy: 1.8579224116637134
Energy: 1.5848296161868698
Energy: 1.8579224116637134
Energy: 1.7959524556529078
Energy: 1.6205811515436104
Energy: 1.7959524556529078
Energy: 1.6205811515436104
Energy: 1.7959524556522746
Energy: 1.6205811515436104
Energy: 2.037324754761781
Energy: 1.742187780978545
Energy: 2.0373247547624143
Energy: 1.7421877809779116
Energy: 2.0373247547624143
Energy: 1.7421877809779116
Energy: 1.805756242073134
Energy: 2.0188176068326635
Energy: 1.8057562420725004
Energy: 2.0188176068326635
Energy: 1.805756242073134
Energy: 2.018817606833297
Energy: 1.5306204426652936
Energy: 1.6108847945205471
Energy: 1.5306204426646604
Energy: 1.6108847945211804
Energy: 1.5306204426652936
Energy: 1.6108847945218139
Energy: 1.7965562297447557
Energy: 1.4822911568405888
Energy: 1.7965562297447557
Energy: 1.4822911568405888
Energy: 1.7965562297447557
Energy: 1.4822911568405888
Energy: 1.5307155082112263
Energy: 1.6110601195189018
Energy: 1.5307155082118598
Energy: 1.611060119519535
Energy: 1.5307155082118598
Energy: 1.6110601195182683
Energy: 1.8056104054721793
Energy: 2.0188157831875095
Energy: 1.8056104054728126
Energy: 2.0188157831875095
Energy: 1.8056104054721793
Energy: 2.018815783186876
Energy: 2.0372123566231926
Energy: 1.745252142727481
Energy: 2.037212356622559
Energy: 1.745252142727481
Energy: 2.037212356622559
Energy: 1.745252142727481
Energy: 1.795893677629703
Energy: 1.7199087893956782
Energy: 1.795893677629703
Energy: 1.7199087893956782
Energy: 1.795893677629703
Energy: 1.7199087893956782
Energy: 1.5848499193789418
Energy: 1.8579105295652694
Energy: 1.5848499193789418
Energy: 1.8579105295652694
Energy: 1.5848499193789418
Energy: 1.8579105295652694
Energy: 1.702334346720474
Energy: 1.8442394223945189
Energy: 1.702334346720474
Energy: 1.8442394223945189
Energy: 1.7023343467211074
Energy: 1.8442394223945189

minimum gb energy = 1.2795765154875656 eV
minimum distance =  2.59582284323785 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.9807434396414325
Energy: 1.6544319098728275
Energy: 1.9807434396414325
Energy: 1.6544319098728275
Energy: 1.9807434396414325
Energy: 1.6544319098728275
Energy: 1.5294234838017575
Energy: 1.7330383425686668
Energy: 1.5294234838017575
Energy: 1.7330383425686668
Energy: 1.5294234838026532
Energy: 1.7330383425686668
Energy: 1.4305307476469986
Energy: 1.585186157981985
Energy: 1.4305307476478941
Energy: 1.585186157981985
Energy: 1.4305307476469986
Energy: 1.5851861579828808
Energy: 1.715121029441626
Energy: 1.7961216226264036
Energy: 1.7151210294407306
Energy: 1.7961216226264036
Energy: 1.7151210294407306
Energy: 1.7961216226264036
Energy: 1.7348709667337816
Energy: 1.7264804786831576
Energy: 1.7348709667337816
Energy: 1.7264804786822618
Energy: 1.7348709667337816
Energy: 1.7264804786831576
Energy: 1.6181591605794199
Energy: 1.6749199867018874
Energy: 1.6181591605794199
Energy: 1.6749199867018874
Energy: 1.6181591605803154
Energy: 1.674919986702783
Energy: 1.7227810967888801
Energy: 1.4679747019128597
Energy: 1.7227810967888801
Energy: 1.4679747019137555
Energy: 1.7227810967888801
Energy: 1.4679747019128597
Energy: 1.7150279633823373
Energy: 1.7993738986301093
Energy: 1.715027963383233
Energy: 1.7993738986301093
Energy: 1.715027963383233
Energy: 1.7993738986301093
Energy: 1.374268090246036
Energy: 1.72685802527899
Energy: 1.3742680902469315
Energy: 1.72685802527899
Energy: 1.374268090246036
Energy: 1.72685802527899
Energy: 1.6585428813672005
Energy: 1.5096785064782954
Energy: 1.6585428813680962
Energy: 1.509678506479191
Energy: 1.6585428813672005
Energy: 1.5096785064782954
Energy: 1.8618472585374641
Energy: 1.512689460266351
Energy: 1.86184725853836
Energy: 1.512689460266351
Energy: 1.8618472585374641
Energy: 1.512689460266351
Energy: 1.5805595348361012
Energy: 1.71420395714308
Energy: 1.5805595348361012
Energy: 1.7142039571421843
Energy: 1.5805595348361012
Energy: 1.7142039571421843
Energy: 1.4159339401829942
Energy: 1.6011544015953059
Energy: 1.4159339401829942
Energy: 1.6011544015953059
Energy: 1.4159339401829942
Energy: 1.6011544015953059
Energy: 1.5302708032623191
Energy: 1.366467103723319
Energy: 1.5302708032623191
Energy: 1.366467103723319
Energy: 1.5302708032623191
Energy: 1.366467103723319
Energy: 1.7453119874475027
Energy: 1.764809415030792
Energy: 1.7453119874475027
Energy: 1.764809415030792
Energy: 1.7453119874475027
Energy: 1.7648094150316878
Energy: 1.6558867995409787
Energy: 1.8652853094618538
Energy: 1.6558867995400834
Energy: 1.8652853094618538
Energy: 1.6558867995400834
Energy: 1.8652853094618538
Energy: 1.527322768830115
Energy: 1.365511344200654
Energy: 1.527322768830115
Energy: 1.365511344200654
Energy: 1.527322768830115
Energy: 1.365511344200654

minimum gb energy = 1.365511344200654 eV
minimum distance =  2.5800448307751 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.830807688486227
Energy: 1.3021183524158582
Energy: 1.830807688486227
Energy: 1.3021183524158582
Energy: 1.830807688486227
Energy: 1.3021183524193167
Energy: 1.4451170545063081
Energy: 1.5188081748041973
Energy: 1.4451170545063081
Energy: 1.5188081748041973
Energy: 1.445117054509767
Energy: 1.5188081748041973
Energy: 1.261365534052915
Energy: 1.4213632869202624
Energy: 1.261365534052915
Energy: 1.4213632869202624
Energy: 1.261365534052915
Energy: 1.4213632869202624
Energy: 1.601334711847371
Energy: 1.2523711647489524
Energy: 1.601334711847371
Energy: 1.2523711647489524
Energy: 1.601334711847371
Energy: 1.2523711647489524
Energy: 1.7442665200141578
Energy: 1.5703287300534063
Energy: 1.7442665200141578
Energy: 1.5703287300534063
Energy: 1.7442665200141578
Energy: 1.5703287300534063
Energy: 1.2200327834847406
Energy: 1.412198329083929
Energy: 1.2200327834847406
Energy: 1.412198329083929
Energy: 1.2200327834847406
Energy: 1.412198329083929
Energy: 1.4674486721235502
Energy: 1.4338795526877839
Energy: 1.4674486721235502
Energy: 1.4338795526877839
Energy: 1.4674486721235502
Energy: 1.4338795526877839
Energy: 1.6739547821275227
Energy: 1.5670784315833644
Energy: 1.6739547821275227
Energy: 1.5670784315833644
Energy: 1.6739547821275227
Energy: 1.5670784315833644
Energy: 1.421388631976502
Energy: 1.49847946532047
Energy: 1.421388631976502
Energy: 1.49847946532047
Energy: 1.421388631976502
Energy: 1.49847946532047
Energy: 1.4740080436799634
Energy: 1.254579553767398
Energy: 1.4740080436799634
Energy: 1.254579553767398
Energy: 1.4740080436799634
Energy: 1.254579553767398
Energy: 1.595718735756692
Energy: 1.5817897310375222
Energy: 1.595718735756692
Energy: 1.5817897310375222
Energy: 1.595718735756692
Energy: 1.5817897310375222
Energy: 1.2898554045441188
Energy: 1.6293300853562238
Energy: 1.2898554045441188
Energy: 1.6293300853562238
Energy: 1.2898554045441188
Energy: 1.6293300853562238
Energy: 1.4775185365178578
Energy: 1.424214972319556
Energy: 1.4775185365178578
Energy: 1.424214972319556
Energy: 1.4775185365178578
Energy: 1.4242149723230146
Energy: 1.7443557607763895
Energy: 1.370463493746722
Energy: 1.7443557607763895
Energy: 1.370463493746722
Energy: 1.7443557607763895
Energy: 1.370463493746722
Energy: 1.51695613964534
Energy: 1.7057975787781594
Energy: 1.51695613964534
Energy: 1.7057975787781594
Energy: 1.51695613964534
Energy: 1.7057975787781594
Energy: 1.3261249162582212
Energy: 1.3975847648815243
Energy: 1.3261249162582212
Energy: 1.3975847648815243
Energy: 1.3261249162582212
Energy: 1.3975847648815243
Energy: 1.3669020254217716
Energy: 1.2332409633208095
Energy: 1.3669020254217716
Energy: 1.2332409633208095
Energy: 1.3669020254217716
Energy: 1.2332409633208095
Energy: 1.6224843993029634
Energy: 1.6122495747028651
Energy: 1.6224843993029634
Energy: 1.6122495747028651
Energy: 1.6224843993029634
Energy: 1.6122495747028651
Energy: 1.4693419636950997
Energy: 1.7502899773778977
Energy: 1.4693419636950997
Energy: 1.7502899773778977
Energy: 1.4693419636950997
Energy: 1.7502899773778977
Energy: 1.3661317300291365
Energy: 1.1812054800125265
Energy: 1.3661317300291365
Energy: 1.1812054800125265
Energy: 1.3661317300291365
Energy: 1.1812054800125265
Energy: 1.469002225464804
Energy: 1.7504703382944828
Energy: 1.469002225464804
Energy: 1.7504703382944828
Energy: 1.469002225464804
Energy: 1.7504703382944828
Energy: 1.6224500433450173
Energy: 1.6122388466105364
Energy: 1.622450043348476
Energy: 1.6122388466105364
Energy: 1.622450043348476
Energy: 1.6122388466105364
Energy: 1.367202420508605
Energy: 1.233101671751267
Energy: 1.367202420508605
Energy: 1.233101671751267
Energy: 1.367202420508605
Energy: 1.233101671751267
Energy: 1.3263212862385558
Energy: 1.4711408266767765
Energy: 1.3263212862385558
Energy: 1.4711408266767765
Energy: 1.3263212862385558
Energy: 1.4711408266767765
Energy: 1.5169947613198262
Energy: 1.7058092635845281
Energy: 1.5169947613232848
Energy: 1.7058092635845281
Energy: 1.5169947613198262
Energy: 1.7058092635845281
Energy: 1.7457916561458346
Energy: 1.3702894008248643
Energy: 1.7457916561458346
Energy: 1.3702894008248643
Energy: 1.7457916561458346
Energy: 1.3702894008248643
Energy: 1.4774626068304813
Energy: 1.4243282512996387
Energy: 1.4774626068304813
Energy: 1.4243282512996387
Energy: 1.4774626068304813
Energy: 1.4243282512996387
Energy: 1.2893643104584047
Energy: 1.629322651175686
Energy: 1.289364310454946
Energy: 1.629322651175686
Energy: 1.289364310454946
Energy: 1.629322651175686
Energy: 1.5959514674787438
Energy: 1.5817806076005472
Energy: 1.5959514674787438
Energy: 1.5817806076005472
Energy: 1.5959514674787438
Energy: 1.5817806076005472
Energy: 1.473957387375481
Energy: 1.2864294989682385
Energy: 1.473957387375481
Energy: 1.2864294989716973
Energy: 1.473957387375481
Energy: 1.2864294989716973
Energy: 1.4214177514053112
Energy: 1.4988890851475505
Energy: 1.4214177514053112
Energy: 1.4988890851475505
Energy: 1.4214177514053112
Energy: 1.4988890851475505
Energy: 1.6741092799923374
Energy: 1.5665675131661358
Energy: 1.6741092799923374
Energy: 1.5665675131661358
Energy: 1.6741092799923374
Energy: 1.5665675131661358
Energy: 1.4678005840600545
Energy: 1.433742250594395
Energy: 1.4678005840600545
Energy: 1.433742250594395
Energy: 1.4678005840600545
Energy: 1.433742250594395
Energy: 1.2200815154225493
Energy: 1.4426620804521537
Energy: 1.2200815154225493
Energy: 1.4426620804521537
Energy: 1.2200815154225493
Energy: 1.4426620804521537
Energy: 1.7413173547566871
Energy: 1.3943272586948483
Energy: 1.7413173547566871
Energy: 1.3943272586948483
Energy: 1.7413173547566871
Energy: 1.3943272586948483
Energy: 1.6011688272316167
Energy: 1.241052283253842
Energy: 1.6011688272350757
Energy: 1.2410522832573005
Energy: 1.6011688272316167
Energy: 1.241052283253842
Energy: 1.2614647235650696
Energy: 1.4213971968200132
Energy: 1.2614647235650696
Energy: 1.4213971968200132
Energy: 1.2614647235650696
Energy: 1.4213971968200132
Energy: 1.4453165783508823
Energy: 1.5405986449113476
Energy: 1.445316578354341
Energy: 1.5405986449113476
Energy: 1.445316578354341
Energy: 1.5405986449113476
Energy: 1.830807688486227
Energy: 1.3021183524227753
Energy: 1.830807688486227
Energy: 1.3021183524227753
Energy: 1.830807688486227
Energy: 1.3021183524193167
Energy: 1.445117054509767
Energy: 1.4256697528414408
Energy: 1.445117054509767
Energy: 1.4256697528414408
Energy: 1.445117054509767
Energy: 1.4256697528414408
Energy: 1.261365534052915
Energy: 1.4213632869202624
Energy: 1.261365534052915
Energy: 1.4213632869202624
Energy: 1.2613655340563739
Energy: 1.4213632869202624
Energy: 1.601334711847371
Energy: 1.252371164752348
Energy: 1.601334711847371
Energy: 1.252371164752348
Energy: 1.601334711847371
Energy: 1.252371164752348
Energy: 1.7442665200141578
Energy: 1.5703287300568651
Energy: 1.7442665200141578
Energy: 1.5703287300534063
Energy: 1.7442665200141578
Energy: 1.5703287300568651

minimum gb energy = 1.1812054800125265 eV
minimum distance =  2.53074656352589 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.7241703580563048
Energy: 1.4082667075937567
Energy: 1.724170358056868
Energy: 1.4082667075926303
Energy: 1.7241703580563048
Energy: 1.4082667075931936
Energy: 1.292629465437694
Energy: 1.3029405867041877
Energy: 1.2926294654371306
Energy: 1.302940586704751
Energy: 1.292629465437694
Energy: 1.302940586704751
Energy: 1.2207254649549937
Energy: 1.2987707808116766
Energy: 1.2207254649549937
Energy: 1.2987707808116766
Energy: 1.2207254649549937
Energy: 1.2987707808116766
Energy: 1.595262943552216
Energy: 1.2578966951611292
Energy: 1.595262943552216
Energy: 1.2578966951616926
Energy: 1.595262943552216
Energy: 1.2578966951616926
Energy: 1.6152924568424538
Energy: 1.5202150838214605
Energy: 1.6152924568424538
Energy: 1.5202150838214605
Energy: 1.6152924568430171
Energy: 1.5202150838208972
Energy: 1.1434903728058798
Energy: 1.2676212323517935
Energy: 1.1434903728058798
Energy: 1.2676212323523568
Energy: 1.1434903728058798
Energy: 1.2676212323523568
Energy: 1.4887167967864101
Energy: 1.3807116942842959
Energy: 1.4887167967858468
Energy: 1.380711694284859
Energy: 1.4887167967858468
Energy: 1.3807116942842959
Energy: 1.4810455091156038
Energy: 1.3618544721241395
Energy: 1.4810455091156038
Energy: 1.3618544721258292
Energy: 1.4810455091150407
Energy: 1.3618544721275185
Energy: 1.2498158396421912
Energy: 1.3731927320283237
Energy: 1.2498158396421912
Energy: 1.3731927320283237
Energy: 1.2498158396421912
Energy: 1.3731927320277604
Energy: 1.3580823869296437
Energy: 1.3851917528578648
Energy: 1.3580823869302068
Energy: 1.3851917528578648
Energy: 1.3580823869290803
Energy: 1.3851917528573015
Energy: 1.4506162732100643
Energy: 1.5323936588683351
Energy: 1.4506162732106276
Energy: 1.5323936588677718
Energy: 1.4506162732106276
Energy: 1.5323936588672087
Energy: 1.1180510290792491
Energy: 1.4876746477408427
Energy: 1.118051029078686
Energy: 1.4876746477414058
Energy: 1.1180510290792491
Energy: 1.4876746477402798
Energy: 1.3619077192475142
Energy: 1.217701412460655
Energy: 1.3619077192480775
Energy: 1.217701412460092
Energy: 1.3619077192475142
Energy: 1.217701412460092
Energy: 1.5285568613548115
Energy: 1.3598684608710498
Energy: 1.5285568613548115
Energy: 1.3598684608704867
Energy: 1.5285568613553746
Energy: 1.3598684608704867
Energy: 1.1870583068733893
Energy: 1.626111940817688
Energy: 1.187058306872263
Energy: 1.6261119408182512
Energy: 1.1870583068733893
Energy: 1.6261119408182512
Energy: 1.2953032014299475
Energy: 1.2871861960788222
Energy: 1.2953032014299475
Energy: 1.2871861960793856
Energy: 1.2953032014305106
Energy: 1.2871861960788222
Energy: 1.6626976333624421
Energy: 1.2688934347739163
Energy: 1.6626976333624421
Energy: 1.2688934347733531
Energy: 1.6626976333624421
Energy: 1.2688934347739163
Energy: 1.3851059655976001
Energy: 1.6208475301269667
Energy: 1.385105965597088
Energy: 1.6208475301280931
Energy: 1.3851059655976001
Energy: 1.62084753012753
Energy: 1.224933063842735
Energy: 1.2908784514896785
Energy: 1.2249330638421718
Energy: 1.2908784514896785
Energy: 1.224933063842735
Energy: 1.2908784514896785
Energy: 1.4082788287808303
Energy: 1.162475362965336
Energy: 1.4082788287802672
Energy: 1.1624753629647726
Energy: 1.4082788287797041
Energy: 1.1624753629647726
Energy: 1.4581558755286925
Energy: 1.5196141924057485
Energy: 1.4581558755292556
Energy: 1.5196141924057485
Energy: 1.4581558755286925
Energy: 1.5196141924063118
Energy: 1.2208889155954044
Energy: 1.6027557124089875
Energy: 1.2208889155965306
Energy: 1.6027557124095508
Energy: 1.2208889155942781
Energy: 1.6027557124089875
Energy: 1.3038390545102418
Energy: 1.09889199523726
Energy: 1.3038390545102418
Energy: 1.09889199523726
Energy: 1.3038390545096785
Energy: 1.09889199523726
Energy: 1.4156925850101099
Energy: 1.379793652364834
Energy: 1.4156925850101099
Energy: 1.3797936523653973
Energy: 1.4156925850101099
Energy: 1.3797936523653973
Energy: 1.3678641685079391
Energy: 1.4753763064611276
Energy: 1.3678641685085022
Energy: 1.4753763064616907
Energy: 1.3678641685085022
Energy: 1.4753763064611276
Energy: 1.2949353733680269
Energy: 1.0992830409598164
Energy: 1.2949353733680269
Energy: 1.0992830409598164
Energy: 1.2949353733680269
Energy: 1.0992830409598164
Energy: 1.1788727014721039
Energy: 1.6062414044881979
Energy: 1.1788727014721039
Energy: 1.6062414044881979
Energy: 1.1788727014715408
Energy: 1.6062414044881979

minimum gb energy = 1.09889199523726 eV
minimum distance =  2.54325452768884 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.5886673317085724
Energy: 1.2583916163636601
Energy: 1.5886673317085724
Energy: 1.2583916163640703
Energy: 1.5886673317089828
Energy: 1.2583916163636601
Energy: 1.1233259172048526
Energy: 1.2631829834388988
Energy: 1.123325917205263
Energy: 1.2631829834388988
Energy: 1.123325917206494
Energy: 1.2631829834388988
Energy: 1.0704130561394078
Energy: 1.1493904251010396
Energy: 1.0704130561389975
Energy: 1.1493904251010396
Energy: 1.0704130561398182
Energy: 1.1493904251010396
Energy: 1.4739688267962847
Energy: 1.0203831531730159
Energy: 1.4739688267966953
Energy: 1.0203831531738365
Energy: 1.4739688267966953
Energy: 1.0203831531734262
Energy: 1.1558525199540646
Energy: 1.3382302698877182
Energy: 1.1558525199372414
Energy: 1.338230269887308
Energy: 1.1558525199528333
Energy: 1.3382302698877182
Energy: 0.9936310144964953
Energy: 1.1230945788860582
Energy: 0.9936310144964953
Energy: 1.1230945788864684
Energy: 0.9936310144969057
Energy: 1.1230945788864684
Energy: 1.3831403769207793
Energy: 1.1069376061963287
Energy: 1.3831403769207793
Energy: 1.1069376061959184
Energy: 1.3831403769211896
Energy: 1.1069376061959184
Energy: 1.3868424152442946
Energy: 1.3126535699737112
Energy: 1.3868424152442946
Energy: 1.3126535699737112
Energy: 1.3868424152442946
Energy: 1.3126535699745319
Energy: 0.9537862313597778
Energy: 1.247219376861169
Energy: 0.953786231360188
Energy: 1.2472193768615794
Energy: 0.953786231360188
Energy: 1.247219376861169
Energy: 1.3843626668426585
Energy: 1.0660403543222576
Energy: 1.3843626668422482
Energy: 1.0660403543230783
Energy: 1.3843626668426585
Energy: 1.0660403543230783
Energy: 1.3000035903005736
Energy: 1.3721823712217462
Energy: 1.3000035903001632
Energy: 1.3721823712217462
Energy: 1.3000035903005736
Energy: 1.3721823712217462
Energy: 1.1109493906557715
Energy: 1.1919617496177504
Energy: 1.1109493906557715
Energy: 1.191961749618571
Energy: 1.1109493906557715
Energy: 1.191961749618571
Energy: 1.175119150015809
Energy: 1.1055223861712993
Energy: 1.1751191500166296
Energy: 1.105522386170889
Energy: 1.175119150016219
Energy: 1.1055223861717096
Energy: 1.2683044112531183
Energy: 1.378714713783756
Energy: 1.2683044112531183
Energy: 1.3787147137833458
Energy: 1.268304411252708
Energy: 1.3787147137833458
Energy: 1.057717348267579
Energy: 1.448266454821369
Energy: 1.0577173482679894
Energy: 1.448266454821369
Energy: 1.0577173482683997
Energy: 1.448266454821369
Energy: 1.2245436115604125
Energy: 0.9925286263740407
Energy: 1.224543611560823
Energy: 0.992528626374451
Energy: 1.224543611560823
Energy: 0.992528626374451
Energy: 1.3373388715487984
Energy: 1.409659938836674
Energy: 1.337338871548388
Energy: 1.409659938836674
Energy: 1.337338871548388
Energy: 1.409659938836674
Energy: 0.9701756985197276
Energy: 1.3971861385164963
Energy: 0.970175698518907
Energy: 1.3971861385160858
Energy: 0.9701756985193173
Energy: 1.3971861385164963
Energy: 1.1883408946306222
Energy: 1.0642087093644503
Energy: 1.1883408946302119
Energy: 1.0642087093644503
Energy: 1.1883408946298015
Energy: 1.0642087093644503
Energy: 1.4248843338952768
Energy: 1.1412928659961121
Energy: 1.4248843338948665
Energy: 1.1412928659957016
Energy: 1.4248843338952768
Energy: 1.1412928659965222
Energy: 1.033665029271239
Energy: 1.5549737930931116
Energy: 1.0336650292708287
Energy: 1.5549737930927012
Energy: 1.033665029271239
Energy: 1.5549737930927012
Energy: 1.164021423924109
Energy: 1.12185568175759
Energy: 1.1640214239245195
Energy: 1.1218556817580005
Energy: 1.1640214239245195
Energy: 1.12185568175759
Energy: 1.4307912979829662
Energy: 1.0948712487499077
Energy: 1.4307912979829662
Energy: 1.0948712487494974
Energy: 1.4307912979829662
Energy: 1.0948712487494974
Energy: 1.129158612715671
Energy: 1.5515500749588047
Energy: 1.129158612716081
Energy: 1.5515500749588047
Energy: 1.129158612715671
Energy: 1.5515500749588047
Energy: 1.058445001817574
Energy: 1.1438292890229405
Energy: 1.0584450018179843
Energy: 1.1438292890229405
Energy: 1.0584450018183946
Energy: 1.1438292890229405
Energy: 1.2221324173138035
Energy: 1.0145666306047476
Energy: 1.2221324173133932
Energy: 1.014566630604337
Energy: 1.2221324173133932
Energy: 1.014566630604337
Energy: 1.1615835183124854
Energy: 1.445790276570699
Energy: 1.1615835183120753
Energy: 1.4457902765711095
Energy: 1.1615835183124854
Energy: 1.445790276570699
Energy: 1.0770796060191812
Energy: 1.401899053660983
Energy: 1.077079606018771
Energy: 1.401899053660983
Energy: 1.0770796060191812
Energy: 1.401899053660983
Energy: 1.151165256381984
Energy: 0.9462063215188287
Energy: 1.151165256381984
Energy: 0.9462063215188287
Energy: 1.151165256381984
Energy: 0.9462063215184183
Energy: 1.0615285790577311
Energy: 1.3639759605627058
Energy: 1.0615285790581417
Energy: 1.3639759605627058
Energy: 1.0615285790581417
Energy: 1.3639759605627058
Energy: 1.1992673476748617
Energy: 1.4096354110858023
Energy: 1.199267347674451
Energy: 1.4096354110858023
Energy: 1.1992673476752718
Energy: 1.4096354110858023
Energy: 1.1763944469416396
Energy: 0.915986689060945
Energy: 1.1763944469416396
Energy: 0.9159866890605347
Energy: 1.1763944469416396
Energy: 0.915986689060945
Energy: 1.1110120143507658
Energy: 1.3781613961148125
Energy: 1.1110120143511761
Energy: 1.3781613961148125
Energy: 1.1110120143511761
Energy: 1.3781613961144021
Energy: 1.31591042565526
Energy: 1.4243010282859005
Energy: 1.31591042565526
Energy: 1.4243010282859005
Energy: 1.3159104256556706
Energy: 1.4243010282859005
Energy: 1.2073511312346523
Energy: 1.0232109972673213
Energy: 1.2073511312350627
Energy: 1.0232109972677317
Energy: 1.2073511312350627
Energy: 1.0232109972677317
Energy: 0.9506632867647142
Energy: 1.3878927751031713
Energy: 0.9506632867610214
Energy: 1.3878927751031713
Energy: 0.9506632867688176
Energy: 1.3878927751035819

minimum gb energy = 0.9159866890605347 eV
minimum distance =  2.50783780446895 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.3614104742282618
Energy: 0.4195751422385466
Energy: 0.0854846758075414
Energy: 0.4195751422385466
Energy: 0.3614104742282618
Energy: 0.4195751422385466
Energy: 1.0017836907138553
Energy: 0.08661103009776729
Energy: 1.0017836907138553
Energy: 0.08661103009776729
Energy: 1.0017836907138553
Energy: 0.0866110300992749
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 0.0854846758075414
Energy: 0.4195751422385466
Energy: 0.0854846758075414
Energy: 0.4195751422385466
Energy: 0.0854846758075414
Energy: 0.4195751422385466
Energy: 1.0017836907138553
Energy: 0.08661103009776729
Energy: 1.0017836907138553
Energy: 0.08661103009776729
Energy: 1.0017836907138553
Energy: 0.0866110300992749
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 0.3614104742282618
Energy: 0.4195751422385466
Energy: 0.0854846758075414
Energy: 0.4195751422385466
Energy: 0.3614104742282618
Energy: 0.4195751422385466
Energy: 1.0017836907138553
Energy: 0.08661103009776729
Energy: 1.0017836907138553
Energy: 0.08661103009776729
Energy: 1.0017836907138553
Energy: 0.0866110300992749
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 1.0222760998857325
Energy: 0.08645326458800055
Energy: 0.0854846758075414
Energy: 0.4195751422385466
Energy: 0.0854846758075414
Energy: 0.4195751422385466
Energy: 0.0854846758075414
Energy: 0.4195751422385466

minimum gb energy = 0.0854846758075414 eV
minimum distance =  2.73401752696515 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.6374628634631845
Energy: 1.015899819374691
Energy: 1.6374628634631845
Energy: 1.0158998193751423
Energy: 1.6374628634627333
Energy: 1.0158998193751423
Energy: 1.138843308822073
Energy: 1.2215045240595246
Energy: 1.138843308822073
Energy: 1.2215045240599758
Energy: 1.138843308822073
Energy: 1.2215045240599758
Energy: 1.2317144072811304
Energy: 1.1977506870382981
Energy: 1.2317144072806792
Energy: 1.197750687037847
Energy: 1.2317144072806792
Energy: 1.1977506870382981
Energy: 1.4924483187005746
Energy: 1.0196048441859638
Energy: 1.4924483187001234
Energy: 1.0196048441855126
Energy: 1.4924483187001234
Energy: 1.0196048441859638
Energy: 1.066724431551868
Energy: 1.3197768665222311
Energy: 1.066724431552319
Energy: 1.3197768665226823
Energy: 1.066724431551868
Energy: 1.3197768665226823
Energy: 1.2033978310876678
Energy: 1.261534289069571
Energy: 1.2033978310876678
Energy: 1.2615342890700223
Energy: 1.2033978310872164
Energy: 1.2615342890700223
Energy: 1.3332739690930213
Energy: 1.110162102262822
Energy: 1.3332739690925703
Energy: 1.110162102262822
Energy: 1.3332739690930213
Energy: 1.110162102262822
Energy: 1.0622921454618315
Energy: 1.266659116420469
Energy: 1.0622921454618315
Energy: 1.2666591164209202
Energy: 1.0622921454618315
Energy: 1.266659116420469
Energy: 1.3470523135738746
Energy: 1.2757301481230048
Energy: 1.3470523135738746
Energy: 1.2757301481202978
Energy: 1.3470523135738746
Energy: 1.2757301481202978
Energy: 1.4386735768457797
Energy: 1.0224838091781785
Energy: 1.4386735768453287
Energy: 1.0224838091781785
Energy: 1.4386735768453287
Energy: 1.0224838091777275
Energy: 1.1409898016200546
Energy: 1.5217133437827906
Energy: 1.1409898016200546
Energy: 1.5217133437832417
Energy: 1.1409898016200546
Energy: 1.5217133437827906
Energy: 1.367307669454349
Energy: 1.3120338396336446
Energy: 1.367307669454349
Energy: 1.3120338396336446
Energy: 1.3673076694538975
Energy: 1.3120338396340958
Energy: 1.3034278281284735
Energy: 1.0212951026403918
Energy: 1.3034278281284735
Energy: 1.0212951026403918
Energy: 1.3034278281284735
Energy: 1.0212951026403918
Energy: 1.0434274192250772
Energy: 1.3320888765644676
Energy: 1.0434274192250772
Energy: 1.3320888765644676
Energy: 1.0434274192255284
Energy: 1.3320888765644676
Energy: 1.1417888355709334
Energy: 1.3406492229008973
Energy: 1.1417888355704822
Energy: 1.3406492229008973
Energy: 1.1417888355709334
Energy: 1.3406492229008973
Energy: 1.3620802427486125
Energy: 1.0726013157533625
Energy: 1.3620802427486125
Energy: 1.0726013157533625
Energy: 1.3620802427486125
Energy: 1.0726013157533625
Energy: 1.1314995647235548
Energy: 1.430562285905328
Energy: 1.1314995647231039
Energy: 1.430562285905328
Energy: 1.1314995647231039
Energy: 1.430562285905328
Energy: 1.095145441687377
Energy: 1.2362174848305836
Energy: 1.095145441686926
Energy: 1.2362174848305836
Energy: 1.095145441686926
Energy: 1.2362174848305836
Energy: 1.2212760807700165
Energy: 1.1314802714387449
Energy: 1.2212760807700165
Energy: 1.1314802714387449
Energy: 1.221276080769565
Energy: 1.1314802714387449
Energy: 1.0987875528686601
Energy: 1.5342310834587702
Energy: 1.098787552868209
Energy: 1.5342310834587702
Energy: 1.0987875528686601
Energy: 1.5342310834587702
Energy: 1.1726256788511857
Energy: 1.161053597923342
Energy: 1.1726256788511857
Energy: 1.1610535979237933
Energy: 1.172625678851637
Energy: 1.1610535979237933
Energy: 1.5619944493577682
Energy: 1.1531254710779153
Energy: 1.5619944493577682
Energy: 1.1531254710774639
Energy: 1.5619944493577682
Energy: 1.1531254710779153
Energy: 1.046141732195391
Energy: 1.5363054252447736
Energy: 1.046141732195391
Energy: 1.5363054252447736
Energy: 1.0461417321958422
Energy: 1.5363054252452246
Energy: 1.233328682557685
Energy: 1.0787174166559463
Energy: 1.233328682557685
Energy: 1.0787174166563973
Energy: 1.233328682557685
Energy: 1.0787174166559463
Energy: 1.4327673312487514
Energy: 1.1806681731847835
Energy: 1.4327673312487514
Energy: 1.1806681731852344
Energy: 1.4327673312492026
Energy: 1.1806681731847835
Energy: 1.0027277710731168
Energy: 1.3634224643392103
Energy: 1.002727771073568
Energy: 1.3634224643392103
Energy: 1.0027277710731168
Energy: 1.3634224643392103
Energy: 1.336069117457852
Energy: 1.1159170765009612
Energy: 1.3360691174592056
Energy: 1.1159170765009612
Energy: 1.3360691174596566
Energy: 1.11591707650051
Energy: 1.3362098300365266
Energy: 1.182933345898513
Energy: 1.3362098300365266
Energy: 1.182933345898513
Energy: 1.3362098300369778
Energy: 1.182933345898513
Energy: 0.9639121277453164
Energy: 1.4599679746220222
Energy: 0.9639121277453164
Energy: 1.4599679746220222
Energy: 0.9639121277453164
Energy: 1.4599679746224734
Energy: 1.4541731404611502
Energy: 1.193570709562305
Energy: 1.4541731404611502
Energy: 1.193570709562305
Energy: 1.4541731404616014
Energy: 1.193570709562305
Energy: 1.2658863957641853
Energy: 1.0764527428123922
Energy: 1.2658863957641853
Energy: 1.076452742811941
Energy: 1.2658863957641853
Energy: 1.076452742811941
Energy: 1.098426544984758
Energy: 1.1297613738161205
Energy: 1.098426544984307
Energy: 1.129761373817023
Energy: 1.098426544984758
Energy: 1.129761373817023
Energy: 1.337516796343257
Energy: 1.129267202042046
Energy: 1.337516796343257
Energy: 1.129267202041595
Energy: 1.337516796343257
Energy: 1.1292672020411436

minimum gb energy = 0.9639121277453164 eV
minimum distance =  2.59781365904425 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.720729700828312
Energy: 1.1934904994852444
Energy: 1.720729700828312
Energy: 1.1934904994852444
Energy: 1.720729700828312
Energy: 1.1934904994852444
Energy: 1.3361548946516935
Energy: 1.4108344955833603
Energy: 1.3361548946516935
Energy: 1.4108344955833603
Energy: 1.3361548946516935
Energy: 1.4108344955833603
Energy: 1.3808384785874062
Energy: 1.5648628934259539
Energy: 1.3808384785867633
Energy: 1.5648628934265967
Energy: 1.3808384785874062
Energy: 1.5648628934259539
Energy: 1.588541758814046
Energy: 1.1784225670257542
Energy: 1.588541758814046
Energy: 1.1784225670263972
Energy: 1.588541758814046
Energy: 1.1784225670257542
Energy: 1.254651814040374
Energy: 1.4044484521613658
Energy: 1.254651814040374
Energy: 1.4044484521613658
Energy: 1.254651814040374
Energy: 1.4044484521613658
Energy: 1.4221062497251964
Energy: 1.4718501155250823
Energy: 1.4221062497251964
Energy: 1.4718501155263677
Energy: 1.4221062497251964
Energy: 1.4718501155257249
Energy: 1.666655088864174
Energy: 1.2744774286039249
Energy: 1.6666550888635312
Energy: 1.2744774286045677
Energy: 1.6666550888635312
Energy: 1.2744774286039249
Energy: 1.4534140425700517
Energy: 1.64138125737794
Energy: 1.4534140425706945
Energy: 1.6413812573785829
Energy: 1.4534140425706945
Energy: 1.6413812573785829
Energy: 1.345215574580791
Energy: 1.515051594321614
Energy: 1.345215574580791
Energy: 1.515051594321614
Energy: 1.345215574580791
Energy: 1.5150515943209713
Energy: 1.5298729892807381
Energy: 1.2678381117733182
Energy: 1.5298729892807381
Energy: 1.2678381117733182
Energy: 1.529872989281381
Energy: 1.2678381117733182
Energy: 1.3336646387128412
Energy: 1.56498092570034
Energy: 1.3336646387121984
Energy: 1.56498092570034
Energy: 1.3336646387121984
Energy: 1.56498092570034
Energy: 1.2600445074575495
Energy: 1.4521500864565944
Energy: 1.2600445074569067
Energy: 1.4521500864572372
Energy: 1.2600445074575495
Energy: 1.4521500864565944
Energy: 1.28953556335996
Energy: 1.3322426047974736
Energy: 1.28953556335996
Energy: 1.3322426047974736
Energy: 1.28953556335996
Energy: 1.3322426047981164
Energy: 1.275916064314477
Energy: 1.6810192113656077
Energy: 1.2759160643151197
Energy: 1.6810192113656077
Energy: 1.2759160643151197
Energy: 1.6810192113656077
Energy: 1.281254577373602
Energy: 1.346655803517019
Energy: 1.281254577373602
Energy: 1.346655803517019
Energy: 1.281254577373602
Energy: 1.346655803517019
Energy: 1.7082667629792578
Energy: 1.3484609201050406
Energy: 1.7082667629792578
Energy: 1.3484609201050406
Energy: 1.7082667629792578
Energy: 1.3484609201050406
Energy: 1.2078296843648133
Energy: 1.571756303194458
Energy: 1.2078296843654563
Energy: 1.571756303194458
Energy: 1.2078296843654563
Energy: 1.571756303194458
Energy: 1.4039576380589929
Energy: 1.2530600312209224
Energy: 1.4039576380589929
Energy: 1.2530600312209224
Energy: 1.4039576380589929
Energy: 1.2530600312209224
Energy: 1.517976157997194
Energy: 1.312563207275812
Energy: 1.5179761579978368
Energy: 1.312563207275812
Energy: 1.517976157997194
Energy: 1.312563207275812
Energy: 1.332509853744405
Energy: 1.7132294760506872
Energy: 1.332509853744405
Energy: 1.7132294760506872
Energy: 1.332509853744405
Energy: 1.7132294760506872
Energy: 1.5819980148404613
Energy: 1.2169539185285372
Energy: 1.581998014841747
Energy: 1.2169539185285372
Energy: 1.5819980148423898
Energy: 1.2169539185278944
Energy: 1.5503058688033229
Energy: 1.4039993939916473
Energy: 1.5503058688033229
Energy: 1.4039993939916473
Energy: 1.5503058688039657
Energy: 1.4039993939922901
Energy: 1.247765353830987
Energy: 1.637069430342315
Energy: 1.24776535383163
Energy: 1.637069430342315
Energy: 1.2477653538322728
Energy: 1.637069430342315

minimum gb energy = 1.1784225670257542 eV
minimum distance =  2.50012346238945 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.8245213053807372
Energy: 1.269972027246623
Energy: 1.8245213053807372
Energy: 1.269972027247031
Energy: 1.8245213053807372
Energy: 1.269972027247031
Energy: 1.448032697402556
Energy: 1.4813832903966688
Energy: 1.448032697402556
Energy: 1.4813832903966688
Energy: 1.4480326974029636
Energy: 1.4813832903966688
Energy: 1.4676449162082779
Energy: 1.639874537624843
Energy: 1.4676449162082779
Energy: 1.639874537624843
Energy: 1.4676449162082779
Energy: 1.639874537624843
Energy: 1.6897331981404222
Energy: 1.283977584973218
Energy: 1.6897331981404222
Energy: 1.283977584973218
Energy: 1.68973319814083
Energy: 1.283977584973626
Energy: 1.4327750820030838
Energy: 1.6740451753478442
Energy: 1.4327750820026761
Energy: 1.6740451753478442
Energy: 1.4327750820026761
Energy: 1.6740451753474364
Energy: 1.6318830515358527
Energy: 1.5625222711357065
Energy: 1.6318830515358527
Energy: 1.5414518187149955
Energy: 1.6318830515358527
Energy: 1.5530414413520368
Energy: 1.8223128604221528
Energy: 1.5561270334730377
Energy: 1.8223128604217451
Energy: 1.556127033471814
Energy: 1.8223128604217451
Energy: 1.5561270334714064
Energy: 1.4025367301816751
Energy: 1.6830392006107548
Energy: 1.4025367301812675
Energy: 1.6830392006107548
Energy: 1.4025367301812675
Energy: 1.6830392006107548
Energy: 1.3761313887410123
Energy: 1.4779128469422704
Energy: 1.3761313887410123
Energy: 1.4779128469422704
Energy: 1.3761313887410123
Energy: 1.4779128469422704
Energy: 1.8869494322886757
Energy: 1.3552070320643266
Energy: 1.8869494322882678
Energy: 1.3552070320651421
Energy: 1.8869494322882678
Energy: 1.3552070320635108
Energy: 1.3896987319569098
Energy: 1.6403225386862392
Energy: 1.3896987319573175
Energy: 1.6403225386862392
Energy: 1.3896987319573175
Energy: 1.6403225386858316
Energy: 1.4438286128522424
Energy: 1.460161579106682
Energy: 1.44382861285265
Energy: 1.460161579106274
Energy: 1.4438286128522424
Energy: 1.460161579106682
Energy: 1.7002780989000685
Energy: 1.4817769809389985
Energy: 1.7002780988996606
Energy: 1.481776980939777
Energy: 1.7002780988996606
Energy: 1.4817769809389985
Energy: 1.408870998724813
Energy: 1.6425460049306724
Energy: 1.408870998724405
Energy: 1.6425460049306724
Energy: 1.408870998724405
Energy: 1.64254600493108
Energy: 1.5075913742615479
Energy: 1.4227872851963168
Energy: 1.5075913742623634
Energy: 1.4227872851963168
Energy: 1.5075913742623634
Energy: 1.422787285195909
Energy: 1.6884862442417659
Energy: 1.4290772274448023
Energy: 1.6884862442417659
Energy: 1.4290772274448023
Energy: 1.6884862442417659
Energy: 1.42907722744521
Energy: 1.4751083004322192
Energy: 1.841163843911473
Energy: 1.4751083004322192
Energy: 1.841163843911881
Energy: 1.475108300432627
Energy: 1.8411638439110654
Energy: 1.6134412294812366
Energy: 1.555259398160483
Energy: 1.6134412294812366
Energy: 1.555259398160483
Energy: 1.6134412294812366
Energy: 1.5552593981600755
Energy: 1.7889419769152737
Energy: 1.5578736979871797
Energy: 1.7889419769148658
Energy: 1.557873697986364
Energy: 1.7889419769152737
Energy: 1.557873697986364
Energy: 1.44777528869524
Energy: 1.8164939195965464
Energy: 1.44777528869524
Energy: 1.8164939195965464
Energy: 1.44777528869524
Energy: 1.8164939195965464
Energy: 1.5736717760514833
Energy: 1.5195656078029574
Energy: 1.573671776051075
Energy: 1.5195656078025497
Energy: 1.573671776051075
Energy: 1.5195656078025497
Energy: 1.5766748233064223
Energy: 1.2924707168846863
Energy: 1.5766748233064223
Energy: 1.2924707168850942
Energy: 1.57667482330683
Energy: 1.2924707168846863
Energy: 1.317660599099152
Energy: 1.6400486960625318
Energy: 1.3176605990983365
Energy: 1.6400486960625318
Energy: 1.3176605990987444
Energy: 1.6400486960625318
Energy: 1.821330991235064
Energy: 1.4354376994094575
Energy: 1.8213309912338405
Energy: 1.4354376994090494
Energy: 1.8213309912358795
Energy: 1.4354376994098652
Energy: 1.3537582179444427
Energy: 1.4359912193986608
Energy: 1.353758217944035
Energy: 1.4359912193990687
Energy: 1.3537582179436274
Energy: 1.4359912193990687
Energy: 1.3309833448429442
Energy: 1.7779665916594354
Energy: 1.3309833448429442
Energy: 1.7779665916594354
Energy: 1.330983344843352
Energy: 1.7779665916594354
Energy: 1.5175907310725951
Energy: 1.2886562764845508
Energy: 1.5175907310725951
Energy: 1.2886562764845508
Energy: 1.517590731073003
Energy: 1.2886562764845508
Energy: 1.5540776154552285
Energy: 1.7124112214257114
Energy: 1.5540776154548206
Energy: 1.7124112214257114
Energy: 1.5540776154552285
Energy: 1.7124112214261191
Energy: 1.4533209133296967
Energy: 1.8164776078458957
Energy: 1.4533209133296967
Energy: 1.8164776078458957
Energy: 1.453320913329289
Energy: 1.8164776078463036
Energy: 1.7856147179497408
Energy: 1.5279835691077421
Energy: 1.7856147179497408
Energy: 1.5279835691073342
Energy: 1.7856147179497408
Energy: 1.5279835691073342
Energy: 1.626586027003778
Energy: 1.6016426997043494
Energy: 1.626586027003778
Energy: 1.6016426997043494
Energy: 1.626586027003778
Energy: 1.6016426997043494
Energy: 1.4310649608040262
Energy: 1.668526221821741
Energy: 1.4310649608040262
Energy: 1.668526221821741
Energy: 1.4310649608040262
Energy: 1.668526221821333
Energy: 1.684096217870475
Energy: 1.435471234207208
Energy: 1.684096217870475
Energy: 1.4354712342076161
Energy: 1.684096217870475
Energy: 1.4354712342076161
Energy: 1.512095042696471
Energy: 1.3967348681836702
Energy: 1.5120950426976947
Energy: 1.3967348681840783
Energy: 1.5120950426972866
Energy: 1.3967348681840783
Energy: 1.4355969928806538
Energy: 1.7703818696629379
Energy: 1.4355969928806538
Energy: 1.7703818696629379
Energy: 1.4355969928806538
Energy: 1.77038186966253
Energy: 1.8286113395727277
Energy: 1.3245681021079576
Energy: 1.8286113395727277
Energy: 1.324568102108365
Energy: 1.8286113395727277
Energy: 1.3245681021079576
Energy: 1.4451503224670106
Energy: 1.4236317680319701
Energy: 1.4451503224670106
Energy: 1.4236317680319701
Energy: 1.4451503224670106
Energy: 1.4236317680315624

minimum gb energy = 1.269972027246623 eV
minimum distance =  2.54631293492544 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.948444106536705
Energy: 1.4383916416870794
Energy: 1.948444106536705
Energy: 1.4383916416881928
Energy: 1.948444106536705
Energy: 1.4383916416881928
Energy: 1.5975891831839228
Energy: 1.5788333737481972
Energy: 1.5975891831839228
Energy: 1.5788333737481972
Energy: 1.5975891831828095
Energy: 1.5788333737481972
Energy: 1.7605772684247343
Energy: 1.737046354370034
Energy: 1.7605772684247343
Energy: 1.737046354370034
Energy: 1.7605772684247343
Energy: 1.737046354370034
Energy: 2.0795446450356234
Energy: 1.6755297448757493
Energy: 2.07954464503451
Energy: 1.6755297448757493
Energy: 2.07954464503451
Energy: 1.6755297448757493
Energy: 1.7956027135810828
Energy: 1.9897604317782362
Energy: 1.7956027135810828
Energy: 1.9897604317782362
Energy: 1.7956027135810828
Energy: 1.9897604317782362
Energy: 1.8344501546778347
Energy: 1.6474921861133593
Energy: 1.8344501546767211
Energy: 1.6474921861133593
Energy: 1.8344501546778347
Energy: 1.6474921861133593
Energy: 2.023695811103173
Energy: 1.4855952159936758
Energy: 2.023695811103173
Energy: 1.4855952159925623
Energy: 2.023695811103173
Energy: 1.4855952159936758
Energy: 1.6188922883630323
Energy: 1.7335913406499823
Energy: 1.6188922883630323
Energy: 1.7335913406499823
Energy: 1.6188922883630323
Energy: 1.7335913406499823
Energy: 1.6006442566736347
Energy: 1.6366941320647037
Energy: 1.6006442566736347
Energy: 1.6366941320647037
Energy: 1.6006442566736347
Energy: 1.6366941320647037
Energy: 1.8770237758496562
Energy: 1.4708028039887697
Energy: 1.8770237758496562
Energy: 1.4708028039887697
Energy: 1.8770237758496562
Energy: 1.4708028039887697
Energy: 1.596148712296451
Energy: 1.8010382786170038
Energy: 1.596148712296451
Energy: 1.8010382786170038
Energy: 1.596148712296451
Energy: 1.8010382786170038
Energy: 1.6635417987778687
Energy: 1.5523425243173983
Energy: 1.663541798778982
Energy: 1.5523425243173983
Energy: 1.6635417987778687
Energy: 1.5523425243173983
Energy: 1.880049190033889
Energy: 1.6105628014763331
Energy: 1.8800491900327754
Energy: 1.6105628014763331
Energy: 1.880049190033889
Energy: 1.6105628014763331
Energy: 1.8020639183411737
Energy: 1.9856571353771502
Energy: 1.8020639183411737
Energy: 1.9856571353771502
Energy: 1.8020639183411737
Energy: 1.9856571353771502

minimum gb energy = 1.4383916416870794 eV
minimum distance =  2.5484079179363 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.061241984302823
Energy: 1.801376625719142
Energy: 2.061241984302823
Energy: 1.801376625718653
Energy: 2.061241984302823
Energy: 1.801376625719142
Energy: 1.821530577835341
Energy: 1.856104250238851
Energy: 1.821530577835341
Energy: 1.856104250238851
Energy: 1.821530577835341
Energy: 1.85610425023934
Energy: 1.781016778091338
Energy: 1.8462445239825171
Energy: 1.781016778091338
Energy: 1.8462445239825171
Energy: 1.781016778091827
Energy: 1.846244523983006
Energy: 2.1279128939461587
Energy: 1.5456278653383622
Energy: 2.127912893946648
Energy: 1.5456278653383622
Energy: 2.127912893946648
Energy: 1.5456278653383622
Energy: 1.7962832539977334
Energy: 1.7796736302795058
Energy: 1.7962832539972442
Energy: 1.7796736302795058
Energy: 1.7962832539977334
Energy: 1.7796736302795058
Energy: 1.7328899760941814
Energy: 1.8589172285397084
Energy: 1.7328899760936924
Energy: 1.8589172285397084
Energy: 1.7328899760936924
Energy: 1.8589172285397084
Energy: 1.917672582048459
Energy: 1.6700482176459899
Energy: 1.917672582048459
Energy: 1.670048217645501
Energy: 1.917672582048459
Energy: 1.6700482176459899
Energy: 1.8187847599185007
Energy: 1.846117845938937
Energy: 1.81878475991899
Energy: 1.846117845938937
Energy: 1.8187847599185007
Energy: 1.846117845938937
Energy: 1.7857909068090665
Energy: 1.711519161346878
Energy: 1.7857909068095557
Energy: 1.7115191613463892
Energy: 1.7857909068095557
Energy: 1.711519161346878
Energy: 1.87242755422245
Energy: 1.7328099162752415
Energy: 1.87242755422245
Energy: 1.7328099162757309
Energy: 1.87242755422245
Energy: 1.7328099162757309
Energy: 1.693017811026681
Energy: 1.9121955898756438
Energy: 1.693017811026681
Energy: 1.9121955898756438
Energy: 1.693017811026681
Energy: 1.9121955898756438
Energy: 1.75430259159159
Energy: 1.9048843098275754
Energy: 1.75430259159159
Energy: 1.9048843098275754
Energy: 1.754302591592079
Energy: 1.9048843098275754
Energy: 2.008437270738284
Energy: 1.6747283088901135
Energy: 2.0084372707377947
Energy: 1.6747283088910918
Energy: 2.008437270738284
Energy: 1.6747283088906024
Energy: 1.707869581143836
Energy: 1.9341723685440497
Energy: 1.707869581143836
Energy: 1.9341723685440497
Energy: 1.707869581143836
Energy: 1.9341723685445387
Energy: 1.7909316196766738
Energy: 1.787190748961307
Energy: 1.7909316196766738
Energy: 1.7871907489617962
Energy: 1.7909316196761849
Energy: 1.787190748961307
Energy: 1.89691772198262
Energy: 1.73961150860834
Energy: 1.896917721982131
Energy: 1.73961150860834
Energy: 1.89691772198262
Energy: 1.73961150860834
Energy: 1.6716282596003205
Energy: 1.97588085915229
Energy: 1.6716282595993424
Energy: 1.9758808591527792
Energy: 1.6716282595998313
Energy: 1.97588085915229
Energy: 1.8622073604844416
Energy: 1.8401210308540288
Energy: 1.8622073604844416
Energy: 1.8401210308535398
Energy: 1.8622073604849305
Energy: 1.8401210308540288
Energy: 2.0146167455641204
Energy: 1.6023458056708404
Energy: 2.0146167455646093
Energy: 1.6023458056708404
Energy: 2.0146167455641204
Energy: 1.6023458056708404
Energy: 1.799760566078837
Energy: 1.8931997083870977
Energy: 1.799760566078837
Energy: 1.8931997083870977
Energy: 1.799760566078837
Energy: 1.8931997083870977
Energy: 1.882310977878529
Energy: 1.7131330944421335
Energy: 1.882310977878529
Energy: 1.7131330944421335
Energy: 1.8823109778780396
Energy: 1.7131330944421335
Energy: 1.9609481717334134
Energy: 1.7789334642222507
Energy: 1.9609481717334134
Energy: 1.7789334642222507
Energy: 1.9609481717334134
Energy: 1.7789334642222507
Energy: 1.7304219145998112
Energy: 1.9168936844997402
Energy: 1.730421914599322
Energy: 1.9168936844997402
Energy: 1.7304219145998112
Energy: 1.9168936844997402
Energy: 1.8991831539543609
Energy: 1.7198545317328637
Energy: 1.8991831539548503
Energy: 1.7198545317328637
Energy: 1.8991831539548503
Energy: 1.7198545317328637
Energy: 1.8867847655100503
Energy: 1.7172498554980524
Energy: 1.8867847655105396
Energy: 1.7172498554980524
Energy: 1.8867847655100503
Energy: 1.717249855497563
Energy: 1.6094525344531563
Energy: 1.9833812526677306
Energy: 1.6094525344531563
Energy: 1.9833812526677306
Energy: 1.6094525344531563
Energy: 1.9833812526677306
Energy: 1.6929185886249876
Energy: 1.9141746685394179
Energy: 1.6929185886249876
Energy: 1.9141746685399068
Energy: 1.6929185886249876
Energy: 1.9141746685399068
Energy: 1.9089338181733966
Energy: 1.7911946402765044
Energy: 1.9089338181733966
Energy: 1.7911946402765044
Energy: 1.9089338181733966
Energy: 1.7911946402765044
Energy: 1.6596398769092762
Energy: 1.9611446567442732
Energy: 1.6596398769092762
Energy: 1.9611446567442732
Energy: 1.6596398769087872
Energy: 1.9611446567447621
Energy: 1.7485036534557716
Energy: 1.7873297483486354
Energy: 1.7485036534557716
Energy: 1.7873297483486354
Energy: 1.7485036534557716
Energy: 1.7873297483481463
Energy: 1.8481216842387398
Energy: 1.7700834922608262
Energy: 1.8481216842387398
Energy: 1.7700834922613151
Energy: 1.8481216842387398
Energy: 1.7700834922608262

minimum gb energy = 1.5456278653383622 eV
minimum distance =  2.5507971633832 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.5471682475906858
Energy: 1.4577281853430386
Energy: 1.5471682475906858
Energy: 1.4577281853430386
Energy: 1.5471682475906858
Energy: 1.457728185343909
Energy: 1.976643269261429
Energy: 1.9067626293092672
Energy: 1.9766432692622993
Energy: 1.9067626293092672
Energy: 1.9766432692622993
Energy: 1.9067626293083968
Energy: 1.7262322174232412
Energy: 1.6374764308322243
Energy: 1.7262322174232412
Energy: 1.6374764308322243
Energy: 1.726232217422371
Energy: 1.6374764308322243
Energy: 2.095325576563764
Energy: 1.8101604115351706
Energy: 2.095325576564635
Energy: 1.8101604115351706
Energy: 2.095325576564635
Energy: 1.8101604115351706
Energy: 1.72624351685205
Energy: 1.6374508598290463
Energy: 1.72624351685205
Energy: 1.6374508598282154
Energy: 1.72624351685205
Energy: 1.6374508598290463
Energy: 1.976731985940031
Energy: 1.5983517157617646
Energy: 1.9767319859391608
Energy: 1.5983517157617646
Energy: 1.976731985940031
Energy: 1.5983517157617646
Energy: 1.5471682475915562
Energy: 1.4577281853447794
Energy: 1.5471682475915562
Energy: 1.4577281853447794
Energy: 1.5471682475915562
Energy: 1.4577281853447794
Energy: 1.976643269261429
Energy: 1.9067626293083968
Energy: 1.976643269261429
Energy: 1.9067626293083968
Energy: 1.976643269261429
Energy: 1.9067626293083968
Energy: 1.7262322174232412
Energy: 1.637476430833095
Energy: 1.7262322174232412
Energy: 1.6374764308322243
Energy: 1.7262322174232412
Energy: 1.6374764308322243
Energy: 2.095325576563764
Energy: 1.8107485077078127
Energy: 2.095325576563764
Energy: 1.8107485077078127
Energy: 2.095325576564635
Energy: 1.8107485077086833
Energy: 1.7262435168529204
Energy: 1.6374508598290463
Energy: 1.7262435168529204
Energy: 1.6374508598290463
Energy: 1.7262435168529204
Energy: 1.6374508598290463
Energy: 1.976731985940031
Energy: 1.5983517157608942
Energy: 1.976731985940031
Energy: 1.5983517157617646
Energy: 1.976731985940031
Energy: 1.5983517157608942
Energy: 1.5471682475906858
Energy: 1.4577281853430386
Energy: 1.5471682475906858
Energy: 1.4577281853430386
Energy: 1.5471682475906858
Energy: 1.4577281853430386
Energy: 1.976643269261429
Energy: 1.9067626293083968
Energy: 1.976643269261429
Energy: 1.9067626293075266
Energy: 1.9766432692605584
Energy: 1.9067626293092672
Energy: 1.7262322174232412
Energy: 1.6374764308322243
Energy: 1.7262322174232412
Energy: 1.6374764308322243
Energy: 1.7262322174232412
Energy: 1.6374764308322243
Energy: 2.095325576563764
Energy: 1.8107485077086833
Energy: 2.095325576564635
Energy: 1.8107485077086833
Energy: 2.095325576564635
Energy: 1.8107485077086833
Energy: 1.72624351685205
Energy: 1.6374508598290463
Energy: 1.72624351685205
Energy: 1.6374508598290463
Energy: 1.72624351685205
Energy: 1.6374508598290463

minimum gb energy = 1.4577281853430386 eV
minimum distance =  2.57242683073443 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.6403061909863401
Energy: 1.7504938947662059
Energy: 1.6403061909863401
Energy: 1.7504938947662059
Energy: 1.6403061909863401
Energy: 1.7504938947654953
Energy: 1.6862633120008355
Energy: 1.8720237292872997
Energy: 1.6862633120001245
Energy: 1.8720237292858783
Energy: 1.686263312001546
Energy: 1.872023729286589
Energy: 1.7570827988936173
Energy: 1.6728332996700133
Energy: 1.757082798894328
Energy: 1.6728332996693025
Energy: 1.757082798894328
Energy: 1.6728332996693025
Energy: 1.705189884793025
Energy: 1.859187081955596
Energy: 1.705189884793025
Energy: 1.859187081956307
Energy: 1.705189884793025
Energy: 1.859187081956307
Energy: 2.0874641554539597
Energy: 1.8904663177985772
Energy: 2.0874641554539597
Energy: 1.8904663177985772
Energy: 2.0874641554546702
Energy: 1.8904663177985772
Energy: 1.895901715370385
Energy: 1.6270139844651494
Energy: 1.8959017153710955
Energy: 1.6270139844651494
Energy: 1.8959017153710955
Energy: 1.62701398446586
Energy: 1.6144680110548613
Energy: 1.7336758136832942
Energy: 1.6144680110541507
Energy: 1.7336758136832942
Energy: 1.6144680110541507
Energy: 1.7336758136832942
Energy: 1.8627935043522623
Energy: 1.992150013947581
Energy: 1.8627935043543946
Energy: 1.992150013947581
Energy: 1.862793504352973
Energy: 1.992150013947581
Energy: 1.9511329373105535
Energy: 1.8106466489453006
Energy: 1.9511329373105535
Energy: 1.8106466489453006
Energy: 1.9511329373105535
Energy: 1.8106466489453006
Energy: 1.614432861897132
Energy: 1.6780478649886672
Energy: 1.614432861897132
Energy: 1.6780478649893782
Energy: 1.614432861897132
Energy: 1.6780478649886672
Energy: 1.7921121931903983
Energy: 1.7100061658022265
Energy: 1.7921121931896877
Energy: 1.710006165801516
Energy: 1.7921121931896877
Energy: 1.710006165801516
Energy: 1.7478051962759322
Energy: 1.62932719563253
Energy: 1.7478051962759322
Energy: 1.62932719563253
Energy: 1.747805196276643
Energy: 1.6293271956318192
Energy: 1.6562206746119568
Energy: 1.990258291753755
Energy: 1.6562206746112458
Energy: 1.990258291753755
Energy: 1.6562206746119568
Energy: 1.9902582917530443
Energy: 1.9985711556352348
Energy: 1.795623547741773
Energy: 1.9985711556352348
Energy: 1.795623547741773
Energy: 1.9985711556352348
Energy: 1.7956235477424833
Energy: 1.7674518201422802
Energy: 1.673093537681725
Energy: 1.7674518201422802
Energy: 1.673093537681725
Energy: 1.7674518201415692
Energy: 1.6730935376824358
Energy: 1.738877522529115
Energy: 1.7657265354457108
Energy: 1.7388775225298256
Energy: 1.7657265354457108
Energy: 1.738877522529115
Energy: 1.7657265354449998
Energy: 1.8625265655158287
Energy: 1.9338974939955753
Energy: 1.8625265655151177
Energy: 1.9338974939955753
Energy: 1.8625265655144072
Energy: 1.9338974939962863
Energy: 1.9000551234747014
Energy: 1.6718954348586128
Energy: 1.9000551234747014
Energy: 1.6718954348593238
Energy: 1.9000551234754124
Energy: 1.6718954348586128
Energy: 1.670820770018256
Energy: 1.793109743458557
Energy: 1.670820770018256
Energy: 1.793109743458557
Energy: 1.670820770018256
Energy: 1.793109743458557
Energy: 1.8465991193511906
Energy: 1.712788119151719
Energy: 1.8465991193504796
Energy: 1.712788119151719
Energy: 1.8465991193511906
Energy: 1.712788119151719
Energy: 1.756301777304816
Energy: 1.6273946234501313
Energy: 1.756301777304816
Energy: 1.6273946234501313
Energy: 1.756301777304816
Energy: 1.6273946234501313

minimum gb energy = 1.614432861897132 eV
minimum distance =  2.54643034127614 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6574040882186722
Energy: 1.9177536144119505
Energy: 1.6574040882186722
Energy: 1.9177536144119505
Energy: 1.6574040882186722
Energy: 1.9177536144119505
Energy: 1.6789144193711296
Energy: 1.6483012732377023
Energy: 1.6789144193711296
Energy: 1.6483012732377023
Energy: 1.6789144193705308
Energy: 1.6483012732377023
Energy: 1.7366723059705358
Energy: 1.5756518265947634
Energy: 1.7366723059705358
Energy: 1.5756518265947634
Energy: 1.7366723059705358
Energy: 1.5756518265947634
Energy: 1.5260456245296656
Energy: 1.6194408686858706
Energy: 1.5260456245290666
Energy: 1.6194408686864694
Energy: 1.5260456245302645
Energy: 1.6194408686876676
Energy: 1.652938920903746
Energy: 1.8725081297996964
Energy: 1.652938920903147
Energy: 1.8725081297996964
Energy: 1.652938920903746
Energy: 1.8725081298002955
Energy: 1.7427079331294095
Energy: 1.6199323983723797
Energy: 1.7427079331312068
Energy: 1.6199323983723797
Energy: 1.7427079331318058
Energy: 1.6199323983723797
Energy: 1.6469448223759284
Energy: 1.678939573174335
Energy: 1.6469448223753294
Energy: 1.678939573174335
Energy: 1.6469448223759284
Energy: 1.678939573174335
Energy: 1.6212467629827896
Energy: 1.7385936164075282
Energy: 1.6212467629839877
Energy: 1.7385936164081275
Energy: 1.6212467629821907
Energy: 1.7385936164075282
Energy: 1.6648097874650585
Energy: 1.5259111000215704
Energy: 1.6648097874650585
Energy: 1.5259111000215704
Energy: 1.6648097874650585
Energy: 1.5259111000221695
Energy: 1.5262230580656018
Energy: 1.7427862164196923
Energy: 1.5262230580644036
Energy: 1.7427862164202914
Energy: 1.5262230580650027
Energy: 1.7427862164202914
Energy: 1.5261952257186824
Energy: 1.8805731341983631
Energy: 1.5261952257180833
Energy: 1.880573134197764
Energy: 1.5261952257180833
Energy: 1.8805731341983631
Energy: 1.6793181784404696
Energy: 1.5765702559170134
Energy: 1.6793181784404696
Energy: 1.5765702559170134
Energy: 1.6793181784404696
Energy: 1.5765702559170134
Energy: 1.7207541476791346
Energy: 1.6211087024316766
Energy: 1.7207541476791346
Energy: 1.6211087024304784
Energy: 1.7207541476785357
Energy: 1.6211087024316766
Energy: 1.632112560151982
Energy: 1.6624850780467995
Energy: 1.632112560151982
Energy: 1.6624850780462004
Energy: 1.632112560151383
Energy: 1.6624850780462004
Energy: 1.7449418139304405
Energy: 1.6166827872526877
Energy: 1.7449418139322377
Energy: 1.6166827872520884
Energy: 1.7449418139334358
Energy: 1.6166827872520884
Energy: 1.6504153776163981
Energy: 1.8242026984541968
Energy: 1.6504153776157988
Energy: 1.8242026984547959
Energy: 1.6504153776163981
Energy: 1.8242026984541968
Energy: 1.578329028539657
Energy: 1.7368485611222602
Energy: 1.578329028539657
Energy: 1.7368485611228595
Energy: 1.578329028539657
Energy: 1.7368485611228595
Energy: 1.618605607486318
Energy: 1.5730288330296764
Energy: 1.6186056074857191
Energy: 1.5730288330290774
Energy: 1.618605607484521
Energy: 1.5730288330290774
Energy: 1.6151911054272354
Energy: 1.6508756973142007
Energy: 1.61519110970389
Energy: 1.6508756973142007
Energy: 1.615191124059032
Energy: 1.6508756973148
Energy: 1.6574040882186722
Energy: 1.9177536144113512
Energy: 1.6574040882186722
Energy: 1.9177536144107525
Energy: 1.6574040882180736
Energy: 1.9177536144107525
Energy: 1.6789144193705308
Energy: 1.6483012732377023
Energy: 1.6789144193705308
Energy: 1.648301273238301
Energy: 1.6789144193705308
Energy: 1.6483012732377023
Energy: 1.736672305969937
Energy: 1.5756518265953623
Energy: 1.736672305969937
Energy: 1.5756518265953623
Energy: 1.7366723059693379
Energy: 1.5756518265953623
Energy: 1.5260456245314629
Energy: 1.6194408686870687
Energy: 1.5260456245308636
Energy: 1.6194408686864694
Energy: 1.5260456245308636
Energy: 1.6194408686864694
Energy: 1.652938920903746
Energy: 1.8725081297996964
Energy: 1.6529389209043448
Energy: 1.8725081297991517
Energy: 1.652938920904944
Energy: 1.8725081297991517
Energy: 1.742707933133603
Energy: 1.6199323983723797
Energy: 1.7427079331401927
Energy: 1.6199323983723797
Energy: 1.7427079331437871
Energy: 1.6199323983729785

minimum gb energy = 1.5259111000215704 eV
minimum distance =  2.55758569324684 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.5587753768611468
Energy: 1.8254302235220836
Energy: 1.5587753768611468
Energy: 1.8254302235220836
Energy: 1.5587753768611468
Energy: 1.8254302235220836
Energy: 1.796319667814005
Energy: 1.6537262773443806
Energy: 1.796319667814005
Energy: 1.6537262773443806
Energy: 1.7963196678145221
Energy: 1.6537262773443806
Energy: 1.9702529893472474
Energy: 1.5090909465440603
Energy: 1.9702529893472474
Energy: 1.5090909465430262
Energy: 1.9702529893477643
Energy: 1.509090946543543
Energy: 1.4966540729166833
Energy: 1.8001008341244151
Energy: 1.4966540729166833
Energy: 1.800100834123898
Energy: 1.4966540729166833
Energy: 1.800100834123898
Energy: 1.6494075340729466
Energy: 1.6864708419235643
Energy: 1.6494075340729466
Energy: 1.6864708419240813
Energy: 1.6494075340729466
Energy: 1.6864708419230472
Energy: 1.737880894028321
Energy: 1.5157409083229698
Energy: 1.7378808940288382
Energy: 1.5157409083229698
Energy: 1.737880894028321
Energy: 1.5157409083229698
Energy: 1.5415889011521133
Energy: 1.8408711437047105
Energy: 1.5415889011521133
Energy: 1.8408711437052279
Energy: 1.5415889011521133
Energy: 1.8408711437052279
Energy: 1.570830775383047
Energy: 1.9477570343231019
Energy: 1.570830775383047
Energy: 1.9477570343231019
Energy: 1.570830775383047
Energy: 1.9477570343231019
Energy: 1.7495810820410986
Energy: 1.474311149324323
Energy: 1.7495810820405813
Energy: 1.4743111493248404
Energy: 1.7495810820405813
Energy: 1.474311149324323
Energy: 1.678823597313875
Energy: 1.8362812360938727
Energy: 1.678823597313875
Energy: 1.8362812360943896
Energy: 1.6788235973133574
Energy: 1.8362812360943896
Energy: 1.4864266043907206
Energy: 1.8700337358746058
Energy: 1.4864266043907206
Energy: 1.8700337358746058
Energy: 1.4864266043907206
Energy: 1.8700337358746058
Energy: 1.8213995725946956
Energy: 1.5047707616847519
Energy: 1.8213995725946956
Energy: 1.5047707616847519
Energy: 1.8213995725941787
Energy: 1.5047707616847519
Energy: 1.8362785348290713
Energy: 1.6738179555489892
Energy: 1.8362785348285542
Energy: 1.6738179555489892
Energy: 1.8362785348290713
Energy: 1.6738179555489892
Energy: 1.5045630398878307
Energy: 1.7199355730667658
Energy: 1.5045630398883476
Energy: 1.7199355730667658
Energy: 1.5045630398883476
Energy: 1.7199355730667658
Energy: 1.822387948308517
Energy: 1.6160348704615737
Energy: 1.822387948308517
Energy: 1.6160348704610565
Energy: 1.822387948308517
Energy: 1.6160348704615737
Energy: 1.8718775023012364
Energy: 1.4745694303989414
Energy: 1.8718775023012364
Energy: 1.4745694303984243
Energy: 1.8718775023012364
Energy: 1.4745694303984243
Energy: 1.5144118270500284
Energy: 1.9068827458044535
Energy: 1.5144118270500284
Energy: 1.9068827458044535
Energy: 1.5144118270500284
Energy: 1.9068827458049706
Energy: 1.8205889095831136
Energy: 1.7306803772765222
Energy: 1.8205889095836305
Energy: 1.7306803772754882
Energy: 1.8205889095831136
Energy: 1.7306803772754882
Energy: 1.785750516966089
Energy: 1.508431624042039
Energy: 1.7857505169655719
Energy: 1.508431624042556
Energy: 1.7857505169655719
Energy: 1.508431624042556
Energy: 1.5911519693111242
Energy: 1.8533856437843812
Energy: 1.5911519693116414
Energy: 1.8533856437843812
Energy: 1.5911519693111242
Energy: 1.8533856437843812
Energy: 1.4680827543031496
Energy: 1.895634944978265
Energy: 1.4680827543036667
Energy: 1.895634944978265
Energy: 1.4680827543031496
Energy: 1.895634944978782
Energy: 1.9098627258054337
Energy: 1.5086760432762787
Energy: 1.909862725805951
Energy: 1.5086760432762787
Energy: 1.909862725805951
Energy: 1.5086760432762787
Energy: 1.7568119751866766
Energy: 1.8888698968265722
Energy: 1.7568119751871936
Energy: 1.8888698968265722
Energy: 1.7568119751866766
Energy: 1.8888698968265722
Energy: 1.543059792497295
Energy: 1.8475225483746167
Energy: 1.543059792497295
Energy: 1.8475225483746167
Energy: 1.5430597924967782
Energy: 1.8475225483746167
Energy: 1.8734352957037488
Energy: 1.5085135723470855
Energy: 1.8734352957037488
Energy: 1.5085135723470855
Energy: 1.8734352957037488
Energy: 1.5085135723470855
Energy: 1.8755319476557482
Energy: 1.7843846911037313
Energy: 1.8755319476557482
Energy: 1.7843846911037313
Energy: 1.8755319476557482
Energy: 1.7843846911037313
Energy: 1.4782722704536808
Energy: 1.6688473528561876
Energy: 1.4782722704536808
Energy: 1.6688473528561876
Energy: 1.4782722704536808
Energy: 1.6688473528561876
Energy: 1.9208899814382183
Energy: 1.7391709738293826
Energy: 1.9208899814402864
Energy: 1.7391709738293826
Energy: 1.9208899814377012
Energy: 1.7391709738298997
Energy: 1.9111580376992996
Energy: 1.6311907307300104
Energy: 1.9111580376992996
Energy: 1.6311907307305276
Energy: 1.9111580376992996
Energy: 1.6311907307300104

minimum gb energy = 1.4680827543031496 eV
minimum distance =  2.53006993856142 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4787581728325294
Energy: 1.7346440590678378
Energy: 1.4787581728325294
Energy: 1.7346440590678378
Energy: 1.4787581728325294
Energy: 1.7346440590678378
Energy: 1.7819306089665656
Energy: 1.567232705600673
Energy: 1.7819306089670202
Energy: 1.5672327056002182
Energy: 1.7819306089665656
Energy: 1.567232705600673
Energy: 1.9038780032526295
Energy: 1.4431386953515268
Energy: 1.9038780032526295
Energy: 1.4431386953515268
Energy: 1.9038780032526295
Energy: 1.4431386953515268
Energy: 1.399825490941444
Energy: 1.9043868604061691
Energy: 1.399825490942353
Energy: 1.9043868604061691
Energy: 1.3998254909428076
Energy: 1.9043868604057144
Energy: 1.6251593162275497
Energy: 1.8118051817035412
Energy: 1.625159316227095
Energy: 1.811805181703996
Energy: 1.625159316227095
Energy: 1.8118051817035412
Energy: 1.7459261824821593
Energy: 1.422015897923412
Energy: 1.7459261824821593
Energy: 1.4220158979238668
Energy: 1.7459261824821593
Energy: 1.4220158979238668
Energy: 1.567683302356678
Energy: 1.7297138302379462
Energy: 1.5676833023562233
Energy: 1.729713830238855
Energy: 1.567683302356678
Energy: 1.729713830238401
Energy: 1.4198689415551655
Energy: 2.1571316980317063
Energy: 1.4198689415551655
Energy: 2.1571316980317063
Energy: 1.41986894155562
Energy: 2.1571316980317063
Energy: 1.7463879706909395
Energy: 1.4238937482889618
Energy: 1.746387970690485
Energy: 1.4238937482889618
Energy: 1.7463879706909395
Energy: 1.4238937482894163
Energy: 1.8444236579505078
Energy: 1.7832756868254775
Energy: 1.8444236579495983
Energy: 1.7832756868254775
Energy: 1.8444236579491438
Energy: 1.7832756868254775
Energy: 1.3986929285384582
Energy: 1.803214942758873
Energy: 1.3986929285384582
Energy: 1.803214942758873
Energy: 1.3986929285384582
Energy: 1.803214942758873
Energy: 2.0670061788747245
Energy: 1.4369803437752489
Energy: 2.0670061788747245
Energy: 1.4369803437752489
Energy: 2.0670061788747245
Energy: 1.4369803437747943
Energy: 1.793547764754117
Energy: 1.4438665930890064
Energy: 1.7935477647545717
Energy: 1.4438665930899157
Energy: 1.7935477647545717
Energy: 1.4438665930890064
Energy: 1.471198905007547
Energy: 1.8218721936389424
Energy: 1.4711989050066376
Energy: 1.8218721936389424
Energy: 1.471198905007547
Energy: 1.8218721936389424
Energy: 1.7339331586737687
Energy: 1.776229464475448
Energy: 1.7339331586742235
Energy: 1.7762294644750347
Energy: 1.7339331586737687
Energy: 1.776229464475448
Energy: 1.9343995540879129
Energy: 1.4461466050999294
Energy: 1.9343995540874581
Energy: 1.4461466050999294
Energy: 1.9343995540874581
Energy: 1.4461466050999294
Energy: 1.3987717628657066
Energy: 1.9960150178163216
Energy: 1.3987717628661611
Energy: 1.9960150178163216
Energy: 1.3987717628661611
Energy: 1.9960150178163216
Energy: 1.3992029903592698
Energy: 2.0124557978745297
Energy: 1.3992029903588152
Energy: 2.0124557978745297
Energy: 1.3992029903597245
Energy: 2.0124557978745297
Energy: 1.7460472867484782
Energy: 1.4235954602650691
Energy: 1.7460472867484782
Energy: 1.4235954602655239
Energy: 1.7460472867484782
Energy: 1.4235954602650691
Energy: 1.726764954082604
Energy: 1.6554213822480528
Energy: 1.726764954082604
Energy: 1.6554213822494164
Energy: 1.726764954081695
Energy: 1.6554213820622177
Energy: 1.419821939903683
Energy: 1.9400285200147602
Energy: 1.4198219399023198
Energy: 1.9400285200147602
Energy: 1.419821939902774
Energy: 1.9400285200147602
Energy: 2.018932045708546
Energy: 1.4219263716667947
Energy: 2.018932045708546
Energy: 1.4219263716667947
Energy: 2.018932045708546
Energy: 1.4219263716663402
Energy: 1.757190768091383
Energy: 1.6383305343195733
Energy: 1.7571907680932013
Energy: 1.6383305343195733
Energy: 1.757190768091383
Energy: 1.6383305343200276
Energy: 1.3995648010618114
Energy: 1.6700770134054865
Energy: 1.3995648010609023
Energy: 1.6700770134054865
Energy: 1.3995648010618114
Energy: 1.6700770134054865
Energy: 1.7588562473209086
Energy: 1.7028109417106674
Energy: 1.7588562473204539
Energy: 1.7028109417115769
Energy: 1.7588562473204539
Energy: 1.7028109417111221
Energy: 1.868904096033349
Energy: 1.445778776214739
Energy: 1.868904096033349
Energy: 1.445778776214739
Energy: 1.8689040960328944
Energy: 1.445778776214739
Energy: 1.4714098268843006
Energy: 1.905106300487481
Energy: 1.4714098268843006
Energy: 1.9051063004870263
Energy: 1.4714098268838458
Energy: 1.9051063004870263
Energy: 1.6838712275364534
Energy: 1.986183226588906
Energy: 1.6838712275364534
Energy: 1.986183226588906
Energy: 1.6838712275359986
Energy: 1.986183226588906
Energy: 1.6711867294098004
Energy: 1.4429995390258485
Energy: 1.6711867294098004
Energy: 1.4429995390258485
Energy: 1.6711867294098004
Energy: 1.4429995390258485
Energy: 1.6113335910711772
Energy: 2.189422222640895
Energy: 1.6113335910711772
Energy: 2.189422222640895
Energy: 1.6113335910711772
Energy: 2.1894222226404407
Energy: 1.3988266253386556
Energy: 1.7170637114643204
Energy: 1.3988266253382011
Energy: 1.7170637114638656
Energy: 1.3988266253386556
Energy: 1.7170637114638656
Energy: 1.7797139360654421
Energy: 1.4218376500177536
Energy: 1.7797139360649878
Energy: 1.4218376500177536
Energy: 1.7797139360654421
Energy: 1.4218376500177536
Energy: 1.9384402974501296
Energy: 1.6305492589871282
Energy: 1.9384402974505843
Energy: 1.6305492589875827
Energy: 1.9384402974501296
Energy: 1.6305492589875827

minimum gb energy = 1.3986929285384582 eV
minimum distance =  2.54493512906267 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.021504334198334318
Energy: 1.6590535448860262
Energy: 0.021504334197956634
Energy: 1.6590535448572385
Energy: 0.021504334197956634
Energy: 1.6590535447775048
Energy: 0.022797376568413852
Energy: 0.46884868287453196
Energy: 0.02279737656874957
Energy: 0.46884868287453196
Energy: 0.02279737656874957
Energy: 0.46884868287453196
Energy: 1.7077505703244358
Energy: 0.4679491220062385
Energy: 1.7080233723544977
Energy: 0.4679491224846392
Energy: 1.7080238152473421
Energy: 0.4679491224665523
Energy: 0.022797376568036168
Energy: 0.46884868287453196
Energy: 0.022797376568413852
Energy: 0.46884868287453196
Energy: 0.022797376568036168
Energy: 0.46884868287453196

minimum gb energy = 0.021504334197956634 eV
minimum distance =  2.7626439378852 Angstroms
sigma value = 1